762	762	830	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	F	3:4:1:	4:3:1:	3:	C[6,6]-3:C[4x6]-4:F-1:	C[4,3x6]-4:C[6,6]-3:F-1:	C[6,6]-3:	C[6,6](C[6,6]C[4,3x6]F)(C[4x6]C[3x6]2H)(F)	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(F)	F(C[6,6]C[4x6]C[6,6])	C[6,6](C[6,6]C[4,3x6]F)(C[4x6]C[3x6]2H)(F){1|F<1>,2|C<4>,4|H<1>}	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(F){1|H<1>,2|F<1>,3|C<4>}	F(C[6,6]C[4x6]C[6,6])	124.6470	0.000	1	124.6470	0.000	1	124.6470	0.000	1	124.6470	0.000	1	125.2477	0.714	3	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	F	3:4:1:	4:3:3:	3:	C[6,6]-3:C[4x6]-4:F-1:	C[4,3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-3:	C[6,6](C[6,6]C[4,3x6]C[6a])(C[4x6]C[3x6]2F)(F)	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(C[6a]C[6a]2)	F(C[6,6]C[4x6]C[6,6])	C[6,6](C[6,6]C[4,3x6]C[6a])(C[4x6]C[3x6]2F)(F){1|F<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(C[6a]C[6a]2){1|H<1>,2|C<4>,3|C<3>,4|F<1>}	F(C[6,6]C[4x6]C[6,6])	124.8820	0.000	1	124.8820	0.000	1	124.8820	0.000	1	124.8820	0.000	1	125.2477	0.714	3	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	F	4:3:1:	3:4:1:	3:	C[4,3x6]-4:C[6,6]-3:F-1:	C[6,6]-3:C[4x6]-4:F-1:	C[6,6]-3:	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(F)	C[6,6](C[6,6]C[4,3x6]F)(C[4x6]C[3x6]2H)(F)	F(C[6,6]C[4,3x6]C[6,6])	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(F){1|H<1>,2|F<1>,3|C<4>}	C[6,6](C[6,6]C[4,3x6]F)(C[4x6]C[3x6]2H)(F){1|F<1>,2|C<4>,4|H<1>}	F(C[6,6]C[4,3x6]C[6,6])	126.2140	0.000	1	126.2140	0.000	1	126.2140	0.000	1	126.2140	0.000	1	125.2477	0.714	3	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:2:1:	3:2:4:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6])(CCCO)	F(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(F){1|C<2>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6])(CCCO){1|C<3>}	F(C[6]C[6]2)	120.9420	0.000	1	120.9420	0.000	1	120.9420	0.000	1	120.9420	0.000	1	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]C[6])(F){1|C<2>,1|C<3>,1|F<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(F){1|C<3>,1|F<1>}	F(C[6]C[6]2)	116.6275	1.630	2	116.6275	2.657	2	120.6371	3.671	17	119.4418	6.685	24	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(F){1|C<3>,1|C<4>}	F(C[6]C[6]2)	124.0930	0.000	1	124.0930	0.000	1	120.6371	3.671	17	119.4418	6.685	24	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]C[6])(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>}	F(C[6]C[6]2)	120.9631	0.899	14	120.9631	0.807	14	120.6371	3.671	17	119.4418	6.685	24	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	F(C[6]C[6]2)	115.5310	0.727	4	116.5389	1.958	7	116.5389	1.958	7	119.4418	6.685	24	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	F(C[6]C[6]2)	117.7750	0.000	1	116.5389	1.958	7	116.5389	1.958	7	119.4418	6.685	24	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|P<4>}	F(C[6]C[6]2)	117.9365	0.814	2	116.5389	1.958	7	116.5389	1.958	7	119.4418	6.685	24	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:2:1:	3:3:4:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(CHHO)	F(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(CHHO){1|C<3>,1|F<1>}	F(C[6]C[6]2)	128.0340	0.000	1	128.0340	0.000	1	123.5600	40.033	2	123.5600	40.033	2	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:2:1:	3:3:4:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]F)2(CCoHN)	F(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)2(CCoHN){1|C<3>,1|H<1>}	F(C[6]C[6]2)	119.0860	0.000	1	119.0860	0.000	1	123.5600	40.033	2	123.5600	40.033	2	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:2:1:	4:3:2:	3:	C[6]-3:O[6]-2:F-1:	C[6]-4:C[6]-3:C-2:	C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(F)	C[6](C[6]C[6]HH)(C[6]O[6]F)(CC)	F(C[6]C[6]O[6])	C[6](C[6]C[6]C)(O[6]C[6])(F){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]F)(CC){2|C<3>}	F(C[6]C[6]O[6])	123.9690	0.000	1	123.9690	0.000	1	123.9690	0.000	1	123.9690	0.000	1	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-2:F-1:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)(C[6]C[6])(F)	F(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]F)(F){1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6])(F){1|C<2>,1|C<3>,1|F<1>}	F(C[6]C[6]2)	120.4585	0.163	2	120.4585	0.027	2	120.2368	3.163	17	120.0098	3.419	23	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-2:F-1:	C[6]-3:	C[6](C[6]C[6]F)(C[6]C[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6])(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]C[6]H)(F){1|C<3>,1|C<4>}	C[6](C[6]C[6]F)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	F(C[6]C[6]2)	125.9850	0.000	1	125.9850	0.000	1	120.2368	3.163	17	120.0098	3.419	23	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-2:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)(C[6]C[6])(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6])(F){1|C<3>,2|F<1>}	F(C[6]C[6]2)	119.7946	1.064	14	119.7946	1.132	14	120.2368	3.163	17	120.0098	3.419	23	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]N[6]H)(C[6]N[6]O)(F)	C[6](C[6]C[6]F)(N[6]C[6])(H)	F(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]N[6]O)(F){1|C<3>,1|H<1>}	C[6](C[6]C[6]F)(N[6]C[6])(H){1|N<3>,2|O<1>}	F(C[6]C[6]2)	121.1230	0.000	1	121.1230	0.000	1	121.0863	0.264	3	120.0098	3.419	23	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]N[6]H)2(F)	C[6](C[6]C[6]F)(N[6]C[6])(H)	F(C[6]C[6]2)	C[6](C[6]N[6]H)2(F){1|Ir<6>,1|C<3>}	C[6](C[6]C[6]F)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	F(C[6]C[6]2)	121.0680	0.725	2	121.0680	0.526	2	121.0863	0.264	3	120.0098	3.419	23	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-2:O-1:	C[6]-3:	C[6](C[6]N[6]H)(C[6]N[6]O)(F)	C[6](C[6]C[6]F)(N[6]C[6])(O)	F(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]N[6]O)(F){1|C<3>,1|C<4>}	C[6](C[6]C[6]F)(N[6]C[6])(O){1|H<1>,1|N<3>,1|O<1>}	F(C[6]C[6]2)	117.6467	1.217	3	117.6467	1.482	3	117.6467	1.482	3	120.0098	3.419	23	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[5,6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5])(C[6]N[6]O)(F)	C[6](C[6]C[5,6]F)(N[6]C[6]H)(O)	F(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5])(C[6]N[6]O)(F){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[5,6]F)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|O<2>}	F(C[6]C[5,6]C[6])	115.3160	0.000	1	115.3160	0.000	1	115.3160	0.000	1	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)(C[6]C[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]C[6]H)(F){2|Ni<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(F){2|Ni<4>,1|C<4>,1|H<1>}	F(C[6]C[6]2)	116.6515	0.612	2	116.6515	0.374	2	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]C[6]O)(F){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(F){1|C<3>,1|F<1>,1|O<1>}	F(C[6]C[6]2)	121.7145	0.761	38	121.7145	0.579	38	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]C[6]O)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>,1|O<1>}	F(C[6]C[6]2)	118.3097	1.475	6	118.3097	2.177	6	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)(C[6]N[6]F)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]N[6]F)(F){1|Pt<4>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2(F){1|N<3>,2|F<1>}	F(C[6]C[6]2)	120.7372	0.850	6	120.8910	0.616	8	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)(C[6]N[6]F)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]N[6]F)(F){1|Re<6>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2(F){1|N<3>,2|F<1>}	F(C[6]C[6]2)	121.3525	0.366	2	120.8910	0.616	8	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(F){1|C<3>,2|F<1>}	F(C[6]C[6]2)	120.1752	0.376	6	120.1752	0.141	6	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)(C[6]N[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|N<3>,2|F<1>}	C[6](C[6]C[6]F)(C[6]N[6]F)(F){1|Pt<4>,1|C<3>,1|F<1>}	F(C[6]C[6]2)	120.5367	0.483	6	120.6261	0.203	8	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)(C[6]N[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|N<3>,2|F<1>}	C[6](C[6]C[6]F)(C[6]N[6]F)(F){1|Re<6>,1|C<3>,1|F<1>}	F(C[6]C[6]2)	120.8945	0.241	2	120.6261	0.203	8	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|Al<4>,1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	F(C[6]C[6]2)	119.8805	0.112	2	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|B<4>,1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	F(C[6]C[6]2)	120.6475	1.220	2	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|C<2>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>}	F(C[6]C[6]2)	119.3984	0.525	14	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)2(F){1|C<3>,2|F<1>}	F(C[6]C[6]2)	119.8250	0.615	6	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2(F){1|C<2>,2|F<1>}	F(C[6]C[6]2)	120.2666	0.353	14	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>,1|O<1>}	F(C[6]C[6]2)	120.2883	0.805	6	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|Al<4>,1|C<3>,1|F<1>,1|H<1>}	F(C[6]C[6]2)	120.0585	0.132	2	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|B<4>,1|C<3>,1|F<1>,1|H<1>}	F(C[6]C[6]2)	119.9770	0.805	2	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|Cu<2>,1|Cu<3>,1|C<3>,1|F<1>}	F(C[6]C[6]2)	119.6893	0.167	4	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|U<10>,1|C<3>,1|F<1>,1|O<2>}	F(C[6]C[6]2)	120.1335	0.645	4	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|U<12>,1|C<3>,1|F<1>,1|O<2>}	F(C[6]C[6]2)	120.1540	1.493	6	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	C[6](C[6]C[6]F)2(F){2|Pt<3>,1|C<3>,1|F<1>}	F(C[6]C[6]2)	119.8635	0.619	2	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|Ce<24>,1|C<4>,1|F<1>,1|F<2>}	C[6](C[6]C[6]F)2(F){1|Ce<24>,1|C<4>,1|F<1>,1|N<3>}	F(C[6]C[6]2)	120.6487	0.037	6	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|Ce<24>,1|C<4>,1|F<1>,1|N<3>}	C[6](C[6]C[6]F)2(F){1|Ce<24>,1|C<4>,1|F<1>,1|F<2>}	F(C[6]C[6]2)	119.5570	0.253	6	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|Cu<2>,1|Cu<3>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	F(C[6]C[6]2)	119.9895	0.456	4	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|F<2>}	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|N<3>}	F(C[6]C[6]2)	120.4874	0.454	5	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|N<3>}	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|F<2>}	F(C[6]C[6]2)	119.6986	0.442	5	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|U<10>,1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	F(C[6]C[6]2)	119.9488	0.910	4	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|U<12>,1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	F(C[6]C[6]2)	119.6625	0.971	6	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|Zr<14>,1|C<3>,1|C<4>,1|F<1>}	C[6](C[6]C[6]F)2(F){1|Zr<14>,1|C<4>,1|F<1>}	F(C[6]C[6]2)	119.8720	0.000	1	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|Zr<14>,1|C<4>,1|F<1>}	C[6](C[6]C[6]F)2(F){1|Zr<14>,1|C<3>,1|C<4>,1|F<1>}	F(C[6]C[6]2)	119.7800	0.000	1	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){2|Pt<3>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	F(C[6]C[6]2)	118.9880	1.013	2	119.9479	0.507	104	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]Zr)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|Zr<14>,1|C<4>,1|F<1>}	C[6](C[6]C[6]Zr)(C[6]C[6]F)(F){1|C<3>,1|C<4>,1|F<1>}	F(C[6]C[6]2)	121.7970	0.000	1	121.7970	0.000	1	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]Zr)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]Zr)(C[6]C[6]F)(F){1|C<3>,1|C<4>,1|F<1>}	C[6](C[6]C[6]F)2(F){1|Zr<14>,1|C<4>,1|F<1>}	F(C[6]C[6]2)	116.8610	0.000	1	116.8610	0.000	1	120.3146	1.436	174	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(F){1|C<2>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	F(C[6]C[6]2)	117.2350	0.000	1	116.8610	0.280	2	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(F){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	F(C[6]C[6]2)	116.4870	0.000	1	116.8610	0.280	2	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]F)(C[6]C[6]H)(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]C[6]H)(F){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]F)(H){1|C<2>,2|F<1>}	F(C[6]C[6]2)	110.0820	0.000	1	110.0820	0.000	1	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(F){1|H<1>,2|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	F(C[6]C[6]2)	120.0460	0.000	1	120.0460	0.000	1	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(F)	C[6](C[6]C[6]F)2(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]C)(F){1|Zn<6>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2(H){1|C<3>,1|H<1>,1|N<3>}	F(C[6]C[6]2)	117.7605	0.576	2	117.7605	0.332	2	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Co<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]F)(H){1|N<3>,2|H<1>}	F(C[6]C[6]2)	121.1950	0.000	1	121.1950	0.000	1	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	F(C[6]C[6]2)	120.4330	0.000	1	120.1345	0.057	11	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	F(C[6]C[6]2)	119.9790	0.000	1	120.1345	0.057	11	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	F(C[6]C[6]2)	120.0270	0.263	5	120.1345	0.057	11	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	F(C[6]C[6]2)	120.2883	0.148	3	120.1345	0.057	11	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	F(C[6]C[6]2)	120.0680	0.000	1	120.1345	0.057	11	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)2(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Zn<6>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2(H){1|C<3>,1|H<1>,1|N<3>}	F(C[6]C[6]2)	119.9690	0.844	2	119.9690	0.713	2	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]Cl)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)2(F){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]F)(H){1|C<3>,1|H<1>,1|O<1>}	F(C[6]C[6]2)	118.3140	0.883	4	118.3140	0.780	4	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)2(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	F(C[6]C[6]2)	118.6050	2.546	2	118.7335	2.118	6	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)2(F){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	F(C[6]C[6]2)	118.7978	1.163	4	118.7335	2.118	6	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]F)(C[6]N[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)2(F){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]F)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	F(C[6]C[6]2)	119.5440	0.229	2	119.5440	0.052	2	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]N[6])(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)2(F){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]F)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	F(C[6]C[6]2)	118.9745	0.473	2	118.9745	0.224	2	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6a]C[6])(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)2(F){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]F)(H){1|H<1>,1|O<1>,3|C<3>}	F(C[6]C[6]2)	118.5370	0.117	2	118.5370	0.014	2	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(F){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	F(C[6]C[6]2)	117.5860	0.803	6	117.5860	0.644	6	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(F){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	F(C[6]C[6]2)	118.1343	1.999	3	118.1343	3.997	3	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(F)	C[6](C[6]C[5,6]H)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(F){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]F)(H){1|H<1>,2|N<3>}	F(C[6]C[6]2)	120.1120	0.000	1	120.1120	0.000	1	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(F)	C[6](C[6]C[5a,6]H)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(F){1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]F)(H){1|C<3>,1|H<1>,1|N<3>}	F(C[6]C[6]2)	119.0080	0.000	1	119.0080	0.000	1	118.7402	3.384	47	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]F)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)2(O)	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]C[6]O)(F){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)2(O){1|C<3>,2|F<1>}	F(C[6]C[6]2)	116.0812	0.803	38	116.3372	1.205	43	116.3172	1.326	55	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]F)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)2(O)	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]C[6]O)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(O){1|C<3>,2|F<1>}	F(C[6]C[6]2)	118.2834	1.155	5	116.3372	1.205	43	116.3172	1.326	55	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(O)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(F){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]F)(O){1|C<3>,2|H<1>}	F(C[6]C[6]2)	116.3320	0.000	1	116.3320	0.000	1	116.3172	1.326	55	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]N)(O)	F(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6]O)(F){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]N)(O){1|C<3>,1|F<1>,1|N<3>}	F(C[6]C[6]2)	114.0670	0.000	1	114.2130	0.043	2	116.3172	1.326	55	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]N)(O)	F(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6]O)(F){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]N)(O){1|C<3>,1|F<1>,1|N<2>}	F(C[6]C[6]2)	114.3590	0.000	1	114.2130	0.043	2	116.3172	1.326	55	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(O)	F(C[6]C[6]2)	C[6](C[6]C[6]O)2(F){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]F)(C[6]C[6]O)(O){1|C<3>,1|F<1>,1|O<1>}	F(C[6]C[6]2)	117.3840	1.476	4	116.6876	1.352	9	116.3172	1.326	55	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(O)	F(C[6]C[6]2)	C[6](C[6]C[6]O)2(F){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]F)(C[6]C[6]O)(O){1|C<3>,1|F<1>,1|O<2>}	F(C[6]C[6]2)	115.9583	0.435	3	116.6876	1.352	9	116.3172	1.326	55	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(O)	F(C[6]C[6]2)	C[6](C[6]C[6]O)2(F){1|C<3>,2|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(O){1|C<3>,1|F<1>,1|O<2>}	F(C[6]C[6]2)	116.3885	0.435	2	116.6876	1.352	9	116.3172	1.326	55	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)(N[6]C[6]C)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]F)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	F(C[6]C[6]2)	117.2980	0.000	1	117.2980	0.000	1	121.1321	3.174	20	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)(N[6]C[6]O)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]N[6]H)(F){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	F(C[6]C[6]2)	117.4730	0.198	2	117.4730	0.039	2	121.1321	3.174	20	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(C[6]N[6]N)(F)	C[6](C[6]C[6]F)(N[6]C[6]H)(H)	F(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]N[6]N)(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	F(C[6]C[6]2)	122.0405	0.486	15	122.0405	0.236	15	121.1321	3.174	20	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(C[6]N[6]O)(F)	C[6](C[6]C[6]F)(N[6]C[6]C)(H)	F(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]N[6]O)(F){1|C<3>,1|C<4>}	C[6](C[6]C[6]F)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	F(C[6]C[6]2)	119.8955	0.231	2	119.8955	0.053	2	121.1321	3.174	20	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]H)(C[6]N[6]O)(F)	C[6](C[6]C[6]F)(N[6]C[6]H)(O)	F(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]N[6]O)(F){1|C<3>,1|H<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	F(C[6]C[6]2)	116.6300	0.000	1	116.6300	0.000	1	116.6300	0.000	1	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(F)	C[6](N[5,6]B[5,6,6]C[5,6])(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(F){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]B[5,6,6]C[5,6])(C[6]C[6]F)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	F(C[6]C[6]2)	118.8530	0.000	1	118.8530	0.000	1	118.8530	0.000	1	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(F)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(F){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]F)(H){1|H<1>,4|C<3>}	F(C[6]C[6]2)	117.4540	0.000	1	117.4540	0.000	1	117.4540	0.000	1	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6,6]O)(C[6]C[6]C)(F)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]F)(O)	F(C[6]C[6]2)	C[6](C[6]N[6,6]O)(C[6]C[6]C)(F){2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]F)(O){2|C<3>,2|C<4>,2|H<1>}	F(C[6]C[6]2)	111.3130	0.000	1	111.3130	0.000	1	111.3130	0.000	1	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)(C[6]N[6]F)(F)	C[6](N[6]C[6]Pt)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]N[6]F)(F){1|Pt<4>,1|C<3>,1|F<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	F(C[6]C[6]2)	120.6127	0.822	6	120.6127	0.676	6	120.4650	0.589	8	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)(C[6]N[6]F)(F)	C[6](N[6]C[6]Re)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]N[6]F)(F){1|Re<6>,1|C<3>,1|F<1>}	C[6](N[6]C[6]Re)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	F(C[6]C[6]2)	120.0220	0.464	2	120.0220	0.215	2	120.4650	0.589	8	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](N[6]C[6]Co)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Co<6>,2|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]F)(H){1|C<3>,2|H<1>}	F(C[6]C[6]2)	116.1150	0.000	1	116.1150	0.000	1	118.3439	2.193	17	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](N[6]C[6]Os)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]F)(H){1|C<3>,1|H<1>,1|N<2>}	F(C[6]C[6]2)	116.8780	0.000	1	116.8780	0.000	1	118.3439	2.193	17	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](N[6]C[6]Ru)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]F)(H){1|H<1>,2|C<3>}	F(C[6]C[6]2)	117.6750	0.320	5	117.6750	0.102	5	118.3439	2.193	17	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H){1|C<3>,2|H<1>}	F(C[6]C[6]2)	118.3757	0.105	3	118.1392	0.134	6	118.3439	2.193	17	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H){1|H<1>,2|C<3>}	F(C[6]C[6]2)	117.8480	0.000	1	118.1392	0.134	6	118.3439	2.193	17	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Zn<6>,1|C<3>,1|F<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H){1|H<1>,2|C<3>}	F(C[6]C[6]2)	117.9300	0.556	2	118.1392	0.134	6	118.3439	2.193	17	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(C[6]N[6]N)(F)	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]N[6]N)(F){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H){1|O<1>,2|N<3>}	F(C[6]C[6]2)	121.7480	0.000	1	121.7480	0.000	1	118.3439	2.193	17	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(C[6]N[6]O)(F)	C[6](N[6]C[5]C[6])(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]N[6]O)(F){1|C<3>,1|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]F)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	F(C[6]C[6]2)	121.6140	0.000	1	121.6140	0.000	1	118.3439	2.193	17	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)2(F)	C[6](N[6]C[6]Ir)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]N[6]H)2(F){1|Ir<6>,1|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]F)(H){1|C<3>,1|H<1>,1|N<2>}	F(C[6]C[6]2)	119.1410	0.925	2	119.1410	0.855	2	118.3439	2.193	17	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(F)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	F(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|C<3>,1|C<4>,1|H<1>}	F(C[6]C[6]N[6])	121.0880	0.174	2	121.0880	0.030	2	121.0880	0.030	2	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](N[6]C[6]Pt)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)(C[6]N[6]F)(F)	F(C[6]C[6]N[6])	C[6](N[6]C[6]Pt)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)(C[6]N[6]F)(F){1|Pt<4>,1|C<3>,1|F<1>}	F(C[6]C[6]N[6])	120.1230	0.684	6	120.1230	0.468	6	119.4169	2.210	8	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](N[6]C[6]Re)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)(C[6]N[6]F)(F)	F(C[6]C[6]N[6])	C[6](N[6]C[6]Re)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)(C[6]N[6]F)(F){1|Re<6>,1|C<3>,1|F<1>}	F(C[6]C[6]N[6])	117.2985	1.080	2	117.2985	1.166	2	119.4169	2.210	8	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	F(C[6]C[6]N[6])	C[6](N[6]C[6]Cu)(C[6]C[6]H)(F){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Cu<5>,1|C<3>,1|H<1>}	F(C[6]C[6]N[6])	118.6775	0.084	2	118.4113	0.216	3	118.6407	0.463	21	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	F(C[6]C[6]N[6])	C[6](N[6]C[6]Cu)(C[6]C[6]H)(F){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Cu<4>,1|C<3>,1|H<1>}	F(C[6]C[6]N[6])	117.8790	0.000	1	118.4113	0.216	3	118.6407	0.463	21	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	F(C[6]C[6]N[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(F){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Fe<5>,1|C<3>,1|H<1>}	F(C[6]C[6]N[6])	118.7255	0.342	2	118.6268	0.582	12	118.6407	0.463	21	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	F(C[6]C[6]N[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(F){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Fe<6>,1|C<3>,1|H<1>}	F(C[6]C[6]N[6])	118.9360	0.921	6	118.6268	0.582	12	118.6407	0.463	21	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	F(C[6]C[6]N[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(F){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Fe<6>,1|C<3>,1|H<1>}	F(C[6]C[6]N[6])	118.1135	0.364	4	118.6268	0.582	12	118.6407	0.463	21	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	F(C[6]C[6]N[6])	C[6](N[6]C[6]Ir)(C[6]C[6]H)(F){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Ir<8>,1|C<3>,1|H<1>}	F(C[6]C[6]N[6])	118.3962	0.341	4	118.3962	0.116	4	118.6407	0.463	21	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	F(C[6]C[6]N[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(F){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Ru<9>,1|C<3>,1|H<1>}	F(C[6]C[6]N[6])	119.5575	0.026	2	119.5575	0.001	2	118.6407	0.463	21	119.2709	4.164	357	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(CC)	F(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]F)(F){1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2(CC){1|C<2>,2|F<1>}	F(C[6]C[6]2)	118.4230	1.973	2	118.4230	3.892	2	118.3740	1.953	3	119.9346	1.821	10	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:	C[6](C[6]C[6]C)2(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(CN)	F(C[6]C[6]2)	C[6](C[6]C[6]C)2(F){1|C<3>,2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]F)(CN){1|C<3>,1|C<4>,1|O<1>}	F(C[6]C[6]2)	118.2760	0.000	1	118.2760	0.000	1	118.3740	1.953	3	119.9346	1.821	10	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-2:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(FLa)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|F<2>}	C[6](C[6]C[6]F)2(FLa){1|La<22>,1|C<4>,1|F<1>,1|N<3>}	F(C[6]C[6]2)	121.4250	0.000	1	121.4250	0.000	1	121.4250	0.000	1	119.9346	1.821	10	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6])	F(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6]O)(F){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]){1|C<3>,1|F<1>,1|O<1>}	F(C[6]C[6]2)	121.1450	0.000	1	121.1450	0.000	1	121.1450	0.000	1	119.9346	1.821	10	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(OH)	F(C[6]C[6]2)	C[6](C[6]C[6]O)2(F){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]F)(C[6]C[6]O)(OH){1|C<3>,1|F<1>,1|O<1>}	F(C[6]C[6]2)	120.6057	0.127	3	120.3308	0.177	5	120.3308	0.177	5	119.9346	1.821	10	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(OH)	F(C[6]C[6]2)	C[6](C[6]C[6]O)2(F){1|C<3>,2|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(OH){1|C<3>,1|F<1>,1|O<1>}	F(C[6]C[6]2)	119.9185	0.329	2	120.3308	0.177	5	120.3308	0.177	5	119.9346	1.821	10	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(COO)	F(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(F){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	F(C[6]C[6]2)	120.6660	0.000	1	120.6660	0.000	1	120.6660	0.000	1	118.5731	4.269	31	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H)	F(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6]O)(F){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H){1|C<3>,1|F<1>,1|O<1>}	F(C[6]C[6]2)	121.1320	0.000	1	121.1320	0.000	1	120.7110	0.135	3	118.5731	4.269	31	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)2(NOO)	F(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]N[6]H)(F){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)2(NOO){1|N<3>,2|H<1>}	F(C[6]C[6]2)	120.5005	0.064	2	120.5005	0.004	2	120.7110	0.135	3	118.5731	4.269	31	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(F)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]F)	F(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(F){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]F){1|F<1>,2|H<1>,3|C<3>}	F(C[6]C[6]2)	120.4272	0.692	6	120.4272	0.478	6	120.4272	0.478	6	118.5731	4.269	31	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]N[6]N)(F)	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH)	F(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]N[6]N)(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	F(C[6]C[6]2)	116.8181	0.452	15	116.8607	0.220	16	116.8607	0.220	16	118.5731	4.269	31	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]N[6]N)(F)	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH)	F(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]N[6]N)(F){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	F(C[6]C[6]2)	117.5010	0.000	1	116.8607	0.220	16	116.8607	0.220	16	118.5731	4.269	31	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]F)	F(C[6]C[6]2)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(F){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]F){1|F<1>,2|H<1>,3|C<3>}	F(C[6]C[6]2)	118.1580	0.660	2	120.1433	12.043	3	120.1433	12.043	3	118.5731	4.269	31	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]F)	F(C[6]C[6]2)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(F){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]F){3|C<3>,3|H<1>}	F(C[6]C[6]2)	124.1140	0.000	1	120.1433	12.043	3	120.1433	12.043	3	118.5731	4.269	31	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(F)	C[6](N[6]C[6]Zn)(C[6]C[6]F)(COO)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]C)(F){1|Zn<6>,1|C<3>,1|F<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]F)(COO){1|C<3>,2|H<1>}	F(C[6]C[6]2)	120.1005	0.565	2	120.1005	0.319	2	120.1005	0.319	2	118.5731	4.269	31	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(F)	C[6](C[6]C[6]F)2(CCoHN)	F(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(F){1|C<2>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)2(CCoHN){1|C<3>,1|H<1>}	F(C[6]C[6]2)	118.1570	0.000	1	118.1570	0.000	1	119.0700	1.667	2	119.0700	1.667	2	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)2(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(CF3)	F(C[6]C[6]2)	C[6](C[6]C[6]C)2(F){1|C<3>,2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]F)(CF3){1|C<2>,1|C<3>,1|O<1>}	F(C[6]C[6]2)	119.9830	0.000	1	119.9830	0.000	1	119.0700	1.667	2	119.0700	1.667	2	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:F-1:	C[6]-3:C[6]-4:F-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F)	C[6](C[6]C[6,6a]F)(C[6]C[6]CoF)(F)	F(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F){1|Co<8>,1|C<4>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6a]F)(C[6]C[6]CoF)(F){1|F<1>,2|C<3>}	F(C[6]C[6,6a]C[6])	118.5120	0.000	1	118.5120	0.000	1	118.7943	0.384	3	118.7943	0.384	3	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	3:4:1:	3:	C[6,6a]-3:C[6]-3:F-1:	C[6]-3:C[6]-4:F-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F)	C[6](C[6]C[6,6a]F)(C[6]C[6]NiF)(F)	F(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F){1|Ni<4>,1|C<4>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6a]F)(C[6]C[6]NiF)(F){1|F<1>,2|C<3>}	F(C[6]C[6,6a]C[6])	118.9355	0.805	2	118.9355	0.649	2	118.7943	0.384	3	118.7943	0.384	3	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]AlH)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|Al<4>,1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]AlH)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	F(C[6]C[6]2)	121.2120	0.229	2	121.2120	0.052	2	120.2903	0.769	43	120.3033	0.759	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]BH)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|B<4>,1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	F(C[6]C[6]2)	120.5580	0.515	2	120.5580	0.265	2	120.2903	0.769	43	120.3033	0.759	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]CeF)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|Ce<24>,1|C<4>,1|F<1>,1|F<2>}	C[6](C[6]C[6]CeF)(C[6]C[6]F)(F){1|C<3>,1|F<1>,1|N<3>}	F(C[6]C[6]2)	120.8463	0.114	6	120.8463	0.013	6	120.2903	0.769	43	120.3033	0.759	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]CeN)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|Ce<24>,1|C<4>,1|F<1>,1|N<3>}	C[6](C[6]C[6]CeN)(C[6]C[6]F)(F){1|C<3>,1|F<1>,1|F<2>}	F(C[6]C[6]2)	119.4830	0.182	6	119.4830	0.033	6	120.2903	0.769	43	120.3033	0.759	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]Cu2)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|Cu<2>,1|Cu<3>,1|C<3>,1|F<1>}	C[6](C[6]C[6]Cu2)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	F(C[6]C[6]2)	121.4077	0.261	4	121.4077	0.068	4	120.2903	0.769	43	120.3033	0.759	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]LaF)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|F<2>}	C[6](C[6]C[6]LaF)(C[6]C[6]F)(F){1|C<3>,1|F<1>,1|N<3>}	F(C[6]C[6]2)	120.1450	0.275	5	120.2050	0.082	6	120.2903	0.769	43	120.3033	0.759	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]LaF)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|F<2>}	C[6](C[6]C[6]LaF)(C[6]C[6]F)(F){1|C<3>,1|F<2>,1|N<3>}	F(C[6]C[6]2)	120.5050	0.000	1	120.2050	0.082	6	120.2903	0.769	43	120.3033	0.759	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]LaN)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|N<3>}	C[6](C[6]C[6]LaN)(C[6]C[6]F)(F){1|C<3>,1|F<1>,1|F<2>}	F(C[6]C[6]2)	119.0298	0.435	4	119.0298	0.189	4	120.2903	0.769	43	120.3033	0.759	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]OU)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|U<10>,1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	F(C[6]C[6]2)	120.0747	0.701	4	119.9597	0.311	10	120.2903	0.769	43	120.3033	0.759	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]OU)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|U<12>,1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	F(C[6]C[6]2)	119.8830	0.497	6	119.9597	0.311	10	120.2903	0.769	43	120.3033	0.759	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]Pt2)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){2|Pt<3>,1|C<3>,1|F<1>}	C[6](C[6]C[6]Pt2)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	F(C[6]C[6]2)	122.2205	0.342	2	122.2205	0.117	2	120.2903	0.769	43	120.3033	0.759	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]ZrC)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]F)2(F){1|Zr<14>,1|C<3>,1|C<4>,1|F<1>}	C[6](C[6]C[6]ZrC)(C[6]C[6]F)(F){1|C<3>,1|F<1>}	F(C[6]C[6]2)	119.9510	0.000	1	119.9510	0.000	1	120.2903	0.769	43	120.3033	0.759	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]F)(C[6]C[6]H)(F)	C[6](C[6]C[6]Ni2)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]C[6]H)(F){2|Ni<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Ni2)(C[6]C[6]F)(H){1|C<3>,1|F<1>}	F(C[6]C[6]2)	120.8620	0.000	1	120.8620	0.000	1	120.8620	0.000	1	120.3033	0.759	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:3:1:	4:3:4:	3:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6,6]O)(C[6]C[6]C)(F)	C[6](C[6]C[6,6]C[6a]C)(C[6]C[6]F)(CF3)	F(C[6]C[6]2)	C[6](C[6]N[6,6]O)(C[6]C[6]C)(F){2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C[6a]C)(C[6]C[6]F)(CF3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	F(C[6]C[6]2)	121.8780	0.000	1	121.8780	0.000	1	121.8780	0.000	1	121.8780	0.000	1	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:F-1:	C[6,6a]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6,6a]F)(C[6]C[6]CoF)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6,6a]F)(C[6]C[6]CoF)(F){1|F<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F){1|Co<8>,1|C<4>,2|C<3>,2|F<1>}	F(C[6]C[6]2)	120.3020	0.000	1	120.3020	0.000	1	119.5280	0.601	3	119.5280	0.601	3	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:F-1:	C[6,6a]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6,6a]F)(C[6]C[6]NiF)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6,6a]F)(C[6]C[6]NiF)(F){1|F<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]F)(F){1|Ni<4>,1|C<4>,2|C<3>,2|F<1>}	F(C[6]C[6]2)	119.1410	0.550	2	119.1410	0.303	2	119.5280	0.601	3	119.5280	0.601	3	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	3:4:1:	4:3:3:	3:	C[6]-3:C[6]-4:F-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]FH)(F)	C[6](C[5,6]C[5,6]C[5]F)(C[6a]C[6a]2)(C[6]C[6]F)	F(C[6]C[6]2)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]FH)(F){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]F)(C[6a]C[6a]2)(C[6]C[6]F){1|C<4>,1|O<1>,2|H<1>,3|F<1>,4|C<3>}	F(C[6]C[6]2)	119.8540	0.239	2	119.8540	0.057	2	119.8540	0.057	2	119.8540	0.057	2	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:F-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]2H)(C[6]N[6]H)(F)	C[6](C[6]C[6,6]F)(N[6]C[6,6]C)(H)	F(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]2H)(C[6]N[6]H)(F){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]F)(N[6]C[6,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	F(C[6]C[6,6]C[6])	119.0580	0.000	1	119.0580	0.000	1	119.0580	0.000	1	118.6239	2.975	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]AlH)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]AlH)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|Al<4>,1|C<3>,1|F<1>,1|H<1>}	F(C[6]C[6]2)	116.4050	0.478	2	116.4050	0.228	2	118.6138	3.041	43	118.6239	2.975	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]BH)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]BH)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|B<4>,1|C<3>,1|F<1>,1|H<1>}	F(C[6]C[6]2)	115.7710	2.387	2	115.7710	5.699	2	118.6138	3.041	43	118.6239	2.975	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]CeF)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]CeF)(C[6]C[6]F)(F){1|C<3>,1|F<1>,1|N<3>}	C[6](C[6]C[6]F)2(F){1|Ce<24>,1|C<4>,1|F<1>,1|F<2>}	F(C[6]C[6]2)	120.6203	0.087	6	120.6203	0.007	6	118.6138	3.041	43	118.6239	2.975	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]CeN)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]CeN)(C[6]C[6]F)(F){1|C<3>,1|F<1>,1|F<2>}	C[6](C[6]C[6]F)2(F){1|Ce<24>,1|C<4>,1|F<1>,1|N<3>}	F(C[6]C[6]2)	117.5010	0.223	6	117.5010	0.050	6	118.6138	3.041	43	118.6239	2.975	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]Cu2)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]Cu2)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|Cu<2>,1|Cu<3>,1|C<3>,1|F<1>}	F(C[6]C[6]2)	116.8565	0.546	4	116.8565	0.298	4	118.6138	3.041	43	118.6239	2.975	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]LaF)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]LaF)(C[6]C[6]F)(F){1|C<3>,1|F<1>,1|N<3>}	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|F<2>}	F(C[6]C[6]2)	121.0855	0.270	4	120.8168	0.416	5	118.6138	3.041	43	118.6239	2.975	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]LaF)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]LaF)(C[6]C[6]F)(F){1|C<3>,1|F<2>,1|N<3>}	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|F<2>}	F(C[6]C[6]2)	119.7420	0.000	1	120.8168	0.416	5	118.6138	3.041	43	118.6239	2.975	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]LaN)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]LaN)(C[6]C[6]F)(F){1|C<3>,1|F<1>,1|F<2>}	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|N<3>}	F(C[6]C[6]2)	118.6564	0.379	5	118.6564	0.143	5	118.6138	3.041	43	118.6239	2.975	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]OU)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]OU)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|U<10>,1|C<3>,1|F<1>,1|O<2>}	F(C[6]C[6]2)	119.1723	0.850	4	119.3526	0.307	10	118.6138	3.041	43	118.6239	2.975	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]OU)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]OU)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|U<12>,1|C<3>,1|F<1>,1|O<2>}	F(C[6]C[6]2)	119.4728	0.274	6	119.3526	0.307	10	118.6138	3.041	43	118.6239	2.975	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]Pt2)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]Pt2)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){2|Pt<3>,1|C<3>,1|F<1>}	F(C[6]C[6]2)	116.4140	0.601	2	116.4140	0.361	2	118.6138	3.041	43	118.6239	2.975	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]ZrC)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	F(C[6]C[6]2)	C[6](C[6]C[6]ZrC)(C[6]C[6]F)(F){1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2(F){1|Zr<14>,1|C<3>,1|C<4>,1|F<1>}	F(C[6]C[6]2)	116.1680	0.000	1	116.1680	0.000	1	118.6138	3.041	43	118.6239	2.975	44	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	3:3:2:	3:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-2:	C[6]-3:	C[6](C[6]C[6]LaN)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(FLa)	F(C[6]C[6]2)	C[6](C[6]C[6]LaN)(C[6]C[6]F)(F){1|C<3>,1|F<1>,1|F<2>}	C[6](C[6]C[6]F)2(FLa){1|La<22>,1|C<4>,1|F<1>,1|N<3>}	F(C[6]C[6]2)	117.4850	0.000	1	117.4850	0.000	1	117.4850	0.000	1	117.4850	0.000	1	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	4:3:1:	3:	C[3,6]-4:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]F)(F)	C[6](C[6]C[6]ClF)(C[6]C[3,6]F)(F)	F(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]F)(F){1|Cl<1>,1|H<1>,2|C<3>,2|F<1>}	C[6](C[6]C[6]ClF)(C[6]C[3,6]F)(F){1|F<1>,1|O<1>,2|C<4>}	F(C[6]C[3,6]C[6])	121.1755	0.957	2	121.1755	0.915	2	121.1755	0.915	2	120.5054	0.502	18	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[3,6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]ClF)(C[6]C[3,6]F)(F)	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]ClF)(C[6]C[3,6]F)(F){1|F<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]F)(F){1|Cl<1>,1|H<1>,2|C<3>,2|F<1>}	F(C[6]C[6]2)	120.3460	0.612	2	120.3460	0.375	2	120.3460	0.375	2	120.5054	0.502	18	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]CO)(C[6]C[6]F)(F)	C[6](C[6]C[6]CO)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]CO)(C[6]C[6]F)(F){1|C<2>,1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]F)(F){1|C<2>,1|C<3>,1|F<1>,1|O<2>}	F(C[6]C[6]2)	120.8515	0.321	6	120.8515	0.103	6	120.5491	0.311	13	120.5054	0.502	18	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]CoF)(C[6]C[6]F)(F)	C[6](C[6]C[6]CoF)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]CoF)(C[6]C[6]F)(F){1|Co<8>,1|C<4>,2|F<1>}	C[6](C[6]C[6]CoF)(C[6]C[6]F)(F){1|Co<8>,1|C<4>,2|F<1>}	F(C[6]C[6]2)	120.5150	0.000	1	120.5150	0.000	1	120.5491	0.311	13	120.5054	0.502	18	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]NiF)(C[6]C[6]F)(F)	C[6](C[6]C[6]NiF)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]NiF)(C[6]C[6]F)(F){1|Ni<4>,1|C<4>,2|F<1>}	C[6](C[6]C[6]NiF)(C[6]C[6]F)(F){1|Ni<4>,1|C<4>,2|F<1>}	F(C[6]C[6]2)	120.2750	0.652	4	120.2750	0.426	4	120.5491	0.311	13	120.5054	0.502	18	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]NiH)(C[6]C[6]F)(F)	C[6](C[6]C[6]NiH)(C[6]C[6]F)(F)	F(C[6]C[6]2)	C[6](C[6]C[6]NiH)(C[6]C[6]F)(F){1|Ni<4>,1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]F)(F){1|Ni<4>,1|C<4>,1|F<1>,1|H<1>}	F(C[6]C[6]2)	120.2070	0.926	2	120.2070	0.858	2	120.5491	0.311	13	120.5054	0.502	18	119.3788	3.994	567	119.4097	4.157	570
762	762	830	0:SP2_SP-NON_SP2	C[6]	C[6]	F	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:F-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CH)(C[6]C[6]H)(F)	C[6](C[6]S[6]HH)(C[6]C[6]F)(H)	F(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[6]C[6]H)(F){1|S<4>,4|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]F)(H){1|H<1>,2|C<4>,2|O<1>}	F(C[6]C[6]2)	118.9160	0.000	1	118.9160	0.000	1	118.9160	0.000	1	120.5054	0.502	18	119.3788	3.994	567	119.4097	4.157	570
762	762	846	0:SP2_SP2_SP2	C[6]	C[6]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[4]-4:C[4]-3:C[6]-3:	C[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[4](C[4]C[4]SiH)(C[4]C[4]C)(C[6]C[6]2)	C[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]O){1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[4](C[4]C[4]SiH)(C[4]C[4]C)(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	117.3180	1.051	2	117.3180	1.104	2	117.3180	1.104	2	121.1947	20.450	4	121.3950	12.469	7	121.3950	12.469	7
762	762	846	0:SP2_SP2_SP2	C[6]	C[6]	C[4]	3:3:3:	3:3:1:	4:3:3:	C[4]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[4]-4:C[4]-3:C[6]-3:	C[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[4]C[6])(C[6]C[6]H)(O)	C[4](C[4]C[4]SiH)(C[4]C[4]C)(C[6]C[6]2)	C[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]O){1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[4](C[4]C[4]SiH)(C[4]C[4]C)(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	125.0715	0.359	2	125.0715	0.129	2	125.0715	0.129	2	121.1947	20.450	4	121.3950	12.469	7	121.3950	12.469	7
762	762	846	0:SP2_SP2_SP2	C[6]	C[6]	C[4]	3:4:3:	3:3:2:	4:4:3:	C[6]-3:C[6]-4:C[4]-3:	C[6]-3:C[6a]-3:N[6]-2:	C[4]-4:C[4]-4:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]O[6]HH)(C[4]C[4]2)	C[6](C[6]C[4]C[6])(C[6a]C[6a]2)(N[6]S[6])	C[4](C[4]C[4]HH)2(C[6]C[6]2)	C[6](C[6]C[6a]N[6])(C[6]O[6]HH)(C[4]C[4]2){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[4]C[6])(C[6a]C[6a]2)(N[6]S[6]){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[4](C[4]C[4]HH)2(C[6]C[6]2){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	124.2020	0.000	1	124.2020	0.000	1	124.2020	0.000	1	124.2020	0.000	1	121.3950	12.469	7	121.3950	12.469	7
762	762	846	0:SP2_SP2_SP2	C[6]	C[6]	C[4]	3:4:3:	3:4:1:	4:3:3:	C[4]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	P[4]-4:C[4]-3:C[6]-3:	C[6](C[4]C[4]P[4])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)	C[4](P[4]C[6a]2B[4])(C[4]B[4]C)(C[6]C[6]2)	C[6](C[4]C[4]P[4])(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|P<4>,4|H<1>}	C[4](P[4]C[6a]2B[4])(C[4]B[4]C)(C[6]C[6]2){2|C<4>,3|H<1>,6|C<3>}	120.3920	1.847	2	120.3920	3.411	2	120.3920	3.411	2	120.3920	3.411	2	121.3950	12.469	7	121.3950	12.469	7
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6,6]	3:3:1:	3:4:1:	4:4:3:	C[4,6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[4,3x6]-4:C[4,6,6]-4:C[6]-3:	C[6](C[4,6,6]C[4,3x6]C[4,6,6])(C[6]C[6]O)(H)	C[6](C[6]C[4,6,6]H)(C[6]C[6]HH)(O)	C[4,6,6](C[4,3x6]C[3x6]C[4,6]C[6])(C[4,6,6]C[4,6]C[6,6]H)(C[6]C[6]H)	C[6](C[4,6,6]C[4,3x6]C[4,6,6])(C[6]C[6]O)(H){3|H<1>,4|C<4>}	C[6](C[6]C[4,6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[4,6,6](C[4,3x6]C[3x6]C[4,6]C[6])(C[4,6,6]C[4,6]C[6,6]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	118.4585	0.301	2	118.4585	0.090	2	118.4585	0.090	2	118.4585	0.090	2	118.4585	0.090	2	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:1:	3:3:1:	3:2:3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:S[4]-2:C[6]-3:	C[6](C[4,6]N[4,6]S[4])(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[4,6](N[4,6]Si[4,4]C[6])(S[4]Si[4,4])(C[6]C[6]H)	C[6](C[4,6]N[4,6]S[4])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[4,6](N[4,6]Si[4,4]C[6])(S[4]Si[4,4])(C[6]C[6]H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	117.8610	0.000	1	118.1100	0.249	3	118.1100	0.249	3	118.1100	0.249	3	117.7743	3.374	23	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:1:	3:3:1:	3:2:3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:S[4]-2:C[6]-3:	C[6](C[4,6]N[4,6]S[4])(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[4,6](N[4,6]Si[4,4]C[6])(S[4]Si[4,4])(C[6]C[6]H)	C[6](C[4,6]N[4,6]S[4])(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[4,6](N[4,6]Si[4,4]C[6])(S[4]Si[4,4])(C[6]C[6]H){2|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	118.2345	0.637	2	118.1100	0.249	3	118.1100	0.249	3	118.1100	0.249	3	117.7743	3.374	23	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:1:	3:3:1:	3:3:2:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:C[6]-3:S[4]-2:	C[6](C[4,6]N[4,6]S[4])(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[4,6](N[4,6]Si[4]C[6])(C[6]C[6]H)(S[4]Si[4])	C[6](C[4,6]N[4,6]S[4])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[4,6](N[4,6]Si[4]C[6])(C[6]C[6]H)(S[4]Si[4]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	118.3700	0.306	3	118.3700	0.093	3	118.3700	0.093	3	118.3700	0.093	3	117.7743	3.374	23	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:1:	3:3:1:	3:3:3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:N[4]-3:C[6]-3:	C[6](C[4,6]N[4,6]N[4])(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[4,6](N[4,6]B[4]C[6])(N[4]B[4]Si)(C[6]C[6]H)	C[6](C[4,6]N[4,6]N[4])(C[6]C[6]H)(H){1|Si<4>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|C<4>,2|N<3>}	C[4,6](N[4,6]B[4]C[6])(N[4]B[4]Si)(C[6]C[6]H){2|Br<1>,1|C<3>,1|C<4>,1|H<1>}	115.4640	0.000	1	115.6208	0.013	4	116.0022	0.405	6	116.0022	0.405	6	117.7743	3.374	23	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:1:	3:3:1:	3:3:3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:N[4]-3:C[6]-3:	C[6](C[4,6]N[4,6]N[4])(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[4,6](N[4,6]B[4]C[6])(N[4]B[4]Si)(C[6]C[6]H)	C[6](C[4,6]N[4,6]N[4])(C[6]C[6]H)(H){1|Si<4>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){3|N<3>}	C[4,6](N[4,6]B[4]C[6])(N[4]B[4]Si)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	115.6730	0.056	3	115.6208	0.013	4	116.0022	0.405	6	116.0022	0.405	6	117.7743	3.374	23	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:1:	3:3:1:	3:3:3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:N[4]-3:C[6]-3:	C[6](C[4,6]N[4,6]N[4])(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[4,6](N[4,6]Ge[4]C[6])(N[4]C[6a]Ge[4])(C[6]C[6]H)	C[6](C[4,6]N[4,6]N[4])(C[6]C[6]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|C<4>,2|N<3>}	C[4,6](N[4,6]Ge[4]C[6])(N[4]C[6a]Ge[4])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.1130	0.000	1	116.7650	0.242	2	116.0022	0.405	6	116.0022	0.405	6	117.7743	3.374	23	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:1:	3:3:1:	3:3:3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:N[4]-3:C[6]-3:	C[6](C[4,6]N[4,6]N[4])(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[4,6](N[4,6]Ge[4]C[6])(N[4]C[6a]Ge[4])(C[6]C[6]H)	C[6](C[4,6]N[4,6]N[4])(C[6]C[6]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|C<4>,2|N<3>}	C[4,6](N[4,6]Ge[4]C[6])(N[4]C[6a]Ge[4])(C[6]C[6]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	116.4170	0.000	1	116.7650	0.242	2	116.0022	0.405	6	116.0022	0.405	6	117.7743	3.374	23	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:1:	3:3:1:	3:4:3:	C[4,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[4,6]-3:C[4,4]-4:C[6]-3:	C[6](C[4,6]C[4,4]N[4,6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H)	C[4,6](N[4,6]C[6,6a]Ge[4,4])(C[4,4]Ge[4,4]2P)(C[6]C[6]H)	C[6](C[4,6]C[4,4]N[4,6])(C[6]C[6,6a]H)(H){2|Ge<3>,1|P<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[4,6](N[4,6]C[6,6a]Ge[4,4])(C[4,4]Ge[4,4]2P)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.8915	0.070	2	118.8915	0.005	2	118.8915	0.005	2	118.4445	5.390	6	117.7743	3.374	23	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:1:	3:3:1:	3:4:3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:C[4]-4:C[6]-3:	C[6](C[4,6]N[4,6]C[4])(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[4,6](N[4,6]B[4]C[6])(C[4]B[4]HP)(C[6]C[6]H)	C[6](C[4,6]N[4,6]C[4])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	C[4,6](N[4,6]B[4]C[6])(C[4]B[4]HP)(C[6]C[6]H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	116.8085	0.107	2	116.8085	0.011	2	116.7403	0.020	3	118.4445	5.390	6	117.7743	3.374	23	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:1:	3:3:1:	3:4:3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:C[4]-4:C[6]-3:	C[6](C[4,6]N[4,6]C[4])(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[4,6](N[4,6]Si[4]C[6])(C[4]Si[4]HH)(C[6]C[6]H)	C[6](C[4,6]N[4,6]C[4])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,3|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	C[4,6](N[4,6]Si[4]C[6])(C[4]Si[4]HH)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	116.6040	0.000	1	116.6040	0.000	1	116.7403	0.020	3	118.4445	5.390	6	117.7743	3.374	23	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:1:	3:3:1:	3:4:3:	C[4,6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[4,6]-3:Si[4]-4:C[6]-3:	C[6](C[4,6]C[4,6]Si[4])(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6]Si[5])(C[6]C[4,6]H)(H)	C[4,6](C[4,6]C[5,6]Si[4])(Si[4]Si[4]CC)(C[6]C[6]H)	C[6](C[4,6]C[4,6]Si[4])(C[6]N[5,6]H)(H){2|Si<4>,1|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]Si[5])(C[6]C[4,6]H)(H){1|Si<4>,1|N<3>,2|C<3>,2|C<4>}	C[4,6](C[4,6]C[5,6]Si[4])(Si[4]Si[4]CC)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	122.6630	0.000	1	122.6630	0.000	1	122.6630	0.000	1	118.4445	5.390	6	117.7743	3.374	23	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:1:	3:3:1:	4:4:3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[4,6](C[4,6]C[6a]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]H)	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	C[4,6](C[4,6]C[6a]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]H){3|C<3>,5|H<1>}	117.7350	0.000	1	117.7350	0.000	1	117.7350	0.000	1	117.7350	0.000	1	117.7743	3.374	23	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:1:	3:3:3:	3:3:3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N[4,6]-3:Si[4]-3:C[6]-3:	C[6](C[4,6]N[4,6]Si[4])(C[6]C[6]N)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC)	C[4,6](N[4,6]Si[4]C[6])(Si[4]Si[4]Si)(C[6]C[6]H)	C[6](C[4,6]N[4,6]Si[4])(C[6]C[6]N)(H){2|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC){1|Si<3>,1|H<1>,1|N<3>}	C[4,6](N[4,6]Si[4]C[6])(Si[4]Si[4]Si)(C[6]C[6]H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	122.2360	0.000	1	122.2360	0.000	1	122.2360	0.000	1	122.2360	0.000	1	117.7743	3.374	23	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:1:	3:3:3:	3:4:3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N[4,6]-3:C[4]-4:C[6]-3:	C[6](C[4,6]N[4,6]C[4])(C[6]C[6]N)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC)	C[4,6](N[4,6]B[4]C[6])(C[4]B[4]HH)(C[6]C[6]H)	C[6](C[4,6]N[4,6]C[4])(C[6]C[6]N)(H){1|B<4>,1|C<3>,3|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC){1|N<3>,2|C<4>}	C[4,6](N[4,6]B[4]C[6])(C[4]B[4]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>}	118.0700	0.000	1	118.0700	0.000	1	118.0700	0.000	1	118.0700	0.000	1	117.7743	3.374	23	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:1:	3:4:1:	4:4:3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[4,6]-4:C[4]-4:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]O)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(O)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]H)(C[6]C[6]H)	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]H)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	118.1020	0.000	1	118.1020	0.000	1	118.1020	0.000	1	118.1020	0.000	1	117.7743	3.374	23	117.8290	3.132	25
762	762	846	6:SP2_SP2_SP2	C[6]	C[6]	C[4,6]	3:3:4:	3:3:1:	4:4:3:	C[4,6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]C)(O)	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]HH)(C[6]C[6]C)	C[6](C[4,6]C[4,6]C[4])(C[6]C[5,6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]C)(O){1|H<1>,1|O<2>,4|C<4>}	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]HH)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.5460	0.000	1	116.5460	0.000	1	116.5460	0.000	1	116.5460	0.000	1	117.7743	3.374	23	117.8290	3.132	25
762	762	849	0:SP2_SP2_SP3	C[6,6]	C[6]	P[6]	4:3:3:	3:3:1:	3:3:3:1:	P[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O-1:	C[6,6](P[6]C[6,6a]C[6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]P[6])(C[6]C[6]O)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6,6](P[6]C[6,6a]C[6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6]C[6,6]P[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O){4|H<1>,7|C<3>}	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	119.9317	3.541	11
762	762	849	0:SP2_SP2_SP3	C[6]	C[6]	P[6]	3:4:3:	3:2:3:	3:2:2:1:	C[6]-3:P[6]-4:C[6]-3:	C[6]-3:O[6]-2:C-3:	C[6]-3:O[6]-2:O[6]-2:O-1:	C[6](C[6]C[6,6a]H)(P[6]O[6]2O)(C[6]O[6]C)	C[6](C[6]C[6]P[6])(O[6]C[6,6a])(CCH)	P[6](C[6]C[6]2)(O[6]C[6])2(O)	C[6](C[6]C[6,6a]H)(P[6]O[6]2O)(C[6]O[6]C){2|C<3>,2|C<4>}	C[6](C[6]C[6]P[6])(O[6]C[6,6a])(CCH){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	P[6](C[6]C[6]2)(O[6]C[6])2(O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	119.8930	0.000	1	119.8930	0.000	1	119.8930	0.000	1	119.8930	0.000	1	120.1074	3.557	10	119.9317	3.541	11
762	762	849	0:SP2_SP2_SP3	C[6]	C[6]	P[6]	3:4:3:	3:3:1:	3:2:2:1:	C[6]-3:P[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:O[6]-2:O-1:	C[6](C[6]C[6,6a]H)(P[6]O[6]2O)(C[6]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6])(H)	P[6](C[6]C[6]2)(O[6]C[6])2(O)	C[6](C[6]C[6,6a]H)(P[6]O[6]2O)(C[6]O[6]C){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6])(H){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	P[6](C[6]C[6]2)(O[6]C[6])2(O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	119.9160	0.000	1	119.9160	0.000	1	119.9160	0.000	1	119.9160	0.000	1	120.1074	3.557	10	119.9317	3.541	11
762	762	849	0:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:3:	3:2:1:	3:2:3:2:	P[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6a]-3:N[6]-2:C[6]-3:N[6]-2:	C[6](P[6]C[6a]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]P[6])(C[6]C[6])(H)	P[6](C[6a]C[6a]2)(N[6]P[6,6])(C[6]C[6]2)(N[6]P[6])	C[6](P[6]C[6a]N[6]2)(C[6]C[6]H)2{1|H<1>,2|P<4>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6])(H){2|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)(N[6]P[6,6])(C[6]C[6]2)(N[6]P[6]){2|Cl<1>,1|C<2>,1|N<2>,2|N<3>,3|C<3>,4|H<1>}	119.4780	0.000	1	119.4780	0.000	1	119.4780	0.000	1	119.4780	0.000	1	120.1074	3.557	10	119.9317	3.541	11
762	762	849	0:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:3:	3:3:1:	3:2:3:2:	P[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:N[6]-2:	C[6](P[6]C[6a]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H)	P[6](C[6a]C[6a]2)(N[6]P[6,6])(C[6]C[6]2)(N[6]P[6])	C[6](P[6]C[6a]N[6]2)(C[6]C[6]H)2{1|H<1>,2|P<4>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|H<1>,2|N<2>}	P[6](C[6a]C[6a]2)(N[6]P[6,6])(C[6]C[6]2)(N[6]P[6]){2|Cl<1>,1|C<2>,1|N<2>,2|N<3>,3|C<3>,4|H<1>}	121.5490	0.000	1	121.5490	0.000	1	121.5490	0.000	1	121.5490	0.000	1	120.1074	3.557	10	119.9317	3.541	11
762	762	849	0:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:3:	4:3:3:	3:3:3:1:	P[6]-4:C[6]-3:C[6]-3:	P[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]P[6])(C[6]C[6]H)	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]P[6])(C[6]C[6]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]P[6])(C[6]C[6]H){1|H<1>,1|O<1>,3|C<4>,6|C<3>}	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]P[6])(C[6]C[6]H){1|H<1>,1|O<1>,3|C<4>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2)(O){1|C<4>,1|P<4>,4|H<1>,5|C<3>}	117.3545	0.462	2	117.3545	0.213	2	117.3545	0.213	2	117.3545	0.213	2	120.1074	3.557	10	119.9317	3.541	11
762	762	849	0:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:4:3:	3:3:4:	3:2:2:1:	C[6]-4:P[6]-4:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O[6]-2:O[6]-2:O-1:	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C)	C[6](C[6]C[6]P[6])(N[6]C[6]H)(CH3)	P[6](C[6]C[6]2)(O[6]C[6])2(O)	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]P[6])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	P[6](C[6]C[6]2)(O[6]C[6])2(O){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	122.1163	0.748	3	122.1163	0.559	3	122.1163	0.559	3	122.1163	0.559	3	120.1074	3.557	10	119.9317	3.541	11
762	762	849	0:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:4:3:	3:4:2:	3:2:2:1:	C[6]-4:P[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:O[6]-2:O[6]-2:O-1:	C[6](C[6]C[6]HH)(P[6]O[6]2O)(C[6]C[6]O)	C[6](C[6]C[6]P[6])(C[6]C[6]HH)(OH)	P[6](C[6]C[6]2)(O[6]C[6])2(O)	C[6](C[6]C[6]HH)(P[6]O[6]2O)(C[6]C[6]O){2|H<1>,5|C<4>}	C[6](C[6]C[6]P[6])(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	P[6](C[6]C[6]2)(O[6]C[6])2(O){1|O<2>,4|H<1>,5|C<4>}	119.1800	0.000	1	119.1800	0.000	1	119.1800	0.000	1	119.1800	0.000	1	120.1074	3.557	10	119.9317	3.541	11
762	762	849	6:SP2_SP2_SP3	C[6,6]	C[6,6]	P[3x6]	4:3:3:	4:3:1:	3:3:3:1:	P[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:Se-1:	C[6,6](P[3x6]C[6,6,6a]C[6,6]Se)(C[6,6]C[3x6]H)(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H)	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a])2(Se)	C[6,6](P[3x6]C[6,6,6a]C[6,6]Se)(C[6,6]C[3x6]H)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]P[3x6]C[6a])(H){1|Se<1>,1|H<1>,7|C<3>}	P[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a])2(Se){1|C<4>,3|H<1>,6|C<3>}	111.7215	0.503	4	111.7215	0.253	4	111.7215	0.253	4	111.7215	0.253	4	111.7215	0.253	4	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6,6]	C[6,6]	P[6]	4:3:3:	3:3:3:	3:3:3:1:	P[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O-1:	C[6,6](P[6]C[6,6a]C[6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]P[6])(C[6]C[6]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6,6](P[6]C[6,6a]C[6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,6|C<3>}	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]P[6])(C[6]C[6]H){1|O<1>,2|H<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O){4|H<1>,7|C<3>}	120.2060	0.000	1	120.2060	0.000	1	120.2060	0.000	1	120.2060	0.000	1	119.2077	0.931	3	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6,6]	C[6,6]	P[6]	4:3:3:	4:3:3:	3:3:3:3:	P[6]-4:C[6,6]-3:N[6]-3:	P[6]-4:C[6,6]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:C[6a]-3:	C[6,6](P[6]C[6,6a]C[6a]2)(C[6,6]N[6]P[6])(N[6]C[6,6a]H)	C[6,6](P[6]C[6,6a]C[6a]2)(C[6,6]N[6]P[6])(N[6]C[6,6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6a]C[6a]2)2	C[6,6](P[6]C[6,6a]C[6a]2)(C[6,6]N[6]P[6])(N[6]C[6,6a]H){10|C<3>,1|H<1>}	C[6,6](P[6]C[6,6a]C[6a]2)(C[6,6]N[6]P[6])(N[6]C[6,6a]H){10|C<3>,1|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6a]C[6a]2)2{1|N<3>,1|P<4>,6|H<1>,7|C<3>}	118.7085	0.606	2	118.7085	0.367	2	118.7085	0.367	2	118.7085	0.367	2	119.2077	0.931	3	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	3:3:4:	3:3:1:	3:3:2:1:	C[6]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(P[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H)	P[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(OC[6])(O)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(P[6]N[6]OO){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	P[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(OC[6])(O){1|H<1>,4|C<3>}	118.3230	0.000	1	118.3230	0.000	1	118.3325	0.038	4	118.3325	0.038	4	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	3:3:4:	3:3:1:	3:3:2:1:	C[6]-3:C[6a]-3:P[6]-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(P[6]N[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H)	P[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(OC[6a])(O)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(P[6]N[6]OO){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]P[6])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	P[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(OC[6a])(O){1|H<1>,4|C<3>}	118.3357	0.238	3	118.3357	0.057	3	118.3325	0.038	4	118.3325	0.038	4	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	3:4:1:	3:3:3:	4:3:3:1:	C[6]-3:P[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6]-3:S-1:	C[6](C[6]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H)	P[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(S)	C[6](C[6]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(H){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H){1|C<4>,1|S<1>,3|H<1>,5|C<3>}	P[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(S){2|C<4>,7|C<3>}	123.1525	0.998	2	123.1525	0.995	2	123.1525	0.995	2	123.1525	0.995	2	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	3:4:3:	3:3:1:	2:3:2:1:	C[6]-3:P[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	O[6]-2:C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(P[6]O[6]OO)(CCN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O)	P[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(O)	C[6](C[6]C[6,6a]O)(P[6]O[6]OO)(CCN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	P[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(O){1|O<1>,2|C<3>}	117.7543	0.163	3	117.7543	0.027	3	118.0020	0.263	4	118.0020	0.263	4	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	3:4:3:	3:3:1:	2:3:2:1:	C[6]-3:P[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	O[6]-2:C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(P[6]O[6]OO)(CC[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O)	P[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(O)	C[6](C[6]C[6,6a]O)(P[6]O[6]OO)(CC[6a]N){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	P[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(O){1|O<1>,2|C<3>}	118.7450	0.000	1	118.7450	0.000	1	118.0020	0.263	4	118.0020	0.263	4	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:1:	3:3:1:	3:3:3:3:	P[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:N[6]-3:	C[6](P[6]C[6]N[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]H)(H)	P[6](C[6]C[6]H)2(N[6]C[6]2)2	C[6](P[6]C[6]N[6]2)(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)(C[6]P[6]H)(H){1|C<3>,1|H<1>,2|N<3>}	P[6](C[6]C[6]H)2(N[6]C[6]2)2{10|H<1>,1|C<3>,4|C<4>}	121.2175	0.122	2	121.2175	0.015	2	121.2175	0.015	2	121.2175	0.015	2	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:1:	3:3:3:	3:3:3:3:	P[6]-4:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6a]N[6])(H)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6a]N[6])(H){9|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H){2|H<1>,8|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]H){1|N<3>,5|H<1>,7|C<3>}	123.0970	0.000	1	123.0970	0.000	1	123.0970	0.000	1	123.0970	0.000	1	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:1:	4:3:1:	3:3:3:1:	P[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]P[6]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(O)	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6,6]H)(H){2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]P[6]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	123.8240	0.000	1	123.8240	0.000	1	123.8240	0.000	1	123.5160	0.190	2	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:1:	4:3:1:	3:3:3:1:	P[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(O)	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]H)(H){2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]P[6]H)(H){1|O<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(O){1|C<4>,4|C<3>,4|H<1>}	123.2080	0.000	1	123.2080	0.000	1	123.2080	0.000	1	123.5160	0.190	2	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:2:	3:3:1:	3:3:3:3:	P[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6]H)(CN)	C[6](C[6]C[6,6a]C[6a])(C[6]P[6]C)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C)	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6]H)(CN){7|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]P[6]C)(H){6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C){6|H<1>,7|C<3>}	117.6380	0.000	1	117.6380	0.000	1	117.6380	0.000	1	121.4796	3.004	7	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:2:	3:3:1:	3:3:3:3:	P[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6](P[6]C[6a]2C[6])(C[6]C[6]H)(CN)	C[6](C[6]C[6]C)(C[6]P[6]C)(H)	P[6](C[6a]C[6a]2)2(C[6]C[6]C)2	C[6](P[6]C[6a]2C[6])(C[6]C[6]H)(CN){1|C<2>,6|C<3>}	C[6](C[6]C[6]C)(C[6]P[6]C)(H){1|H<1>,3|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]C)2{5|C<3>,6|H<1>}	122.0215	0.620	2	122.0215	0.385	2	122.1198	0.161	6	121.4796	3.004	7	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:2:	3:3:1:	3:3:3:3:	P[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6](P[6]C[6a]2C[6])(C[6]C[6]H)(CN)	C[6](C[6]C[6]H)(C[6]P[6]C)(H)	P[6](C[6a]C[6a]2)2(C[6]C[6]C)2	C[6](P[6]C[6a]2C[6])(C[6]C[6]H)(CN){1|C<2>,1|H<1>,5|C<3>}	C[6](C[6]C[6]H)(C[6]P[6]C)(H){1|H<1>,3|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]C)2{5|C<3>,6|H<1>}	122.1690	0.361	4	122.1690	0.131	4	122.1198	0.161	6	121.4796	3.004	7	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:3:	3:3:1:	3:3:3:3:	P[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6a]C[6a])(C[6]P[6]C)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C)	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6]H)(CC[6a]O){7|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]P[6]C)(H){6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]C){6|H<1>,7|C<3>}	118.8300	0.000	1	118.8300	0.000	1	118.8300	0.000	1	118.8300	0.000	1	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:3:	3:3:3:	3:3:3:3:	P[6]-4:C[6]-3:P-3:	C[6]-3:N[6]-3:N-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](P[6]C[6a]2N[6])(C[6]N[6]N)(PC[6a]2)	C[6](C[6]P[6]P)(N[6]B[6]H)(NC[6a]H)	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]C[6]P)	C[6](P[6]C[6a]2N[6])(C[6]N[6]N)(PC[6a]2){1|B<4>,1|H<1>,5|C<3>}	C[6](C[6]P[6]P)(N[6]B[6]H)(NC[6a]H){1|N<3>,4|C<3>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]C[6]P){2|N<3>,4|H<1>,8|C<3>}	117.5470	0.000	1	117.5470	0.000	1	117.5470	0.000	1	117.5470	0.000	1	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:3:	4:3:1:	3:3:3:1:	P[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]P[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]P[6])(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]P[6])(C[6]C[6]H){1|H<1>,1|O<1>,3|C<4>,6|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]P[6])(H){1|O<1>,1|P<4>,4|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]2)(O){1|C<4>,1|P<4>,4|H<1>,5|C<3>}	119.9305	0.169	2	119.9305	0.029	2	119.9305	0.029	2	119.9305	0.029	2	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:3:	4:3:1:	3:3:4:1:	P[6]-4:C[6a]-3:C[6]-3:	B[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6](P[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]B[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6])(H)	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](P[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]B[6]H){1|C<4>,4|H<1>,6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6])(H){1|C<4>,3|H<1>,7|C<3>}	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|B<4>,2|C<4>,3|H<1>,4|C<3>}	117.5900	0.000	1	117.5900	0.000	1	117.5900	0.000	1	117.5900	0.000	1	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:3:	4:3:1:	3:3:4:3:	P[6]-4:C[6]-3:C-3:	B[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6](P[6]C[6a]2C[6])(C[6]B[6]H)(CCC)	C[6](B[6]C[6a]2C[6])(C[6]P[6]C)(H)	P[6](C[6a]C[6a]2)2(C[6]C[6]CH)(C[6]C[6]C)	C[6](P[6]C[6a]2C[6])(C[6]B[6]H)(CCC){1|H<1>,2|C<4>,6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]C)(H){1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]CH)(C[6]C[6]C){1|B<4>,3|H<1>,4|C<3>,4|F<1>}	117.0540	0.000	1	117.0540	0.000	1	117.0540	0.000	1	117.0540	0.000	1	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:3:	4:3:3:	3:3:3:4:	P[6]-4:C[6a]-3:C[6]-3:	B[6]-4:C[6]-3:P-3:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]B[6]P)	C[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6])(PC[6a]C)	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]B[6]P){1|C<4>,4|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6a]P[6])(PC[6a]C){1|C<4>,2|H<1>,8|C<3>}	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,1|P<3>,2|H<1>,4|C<4>,6|C<3>}	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	120.2357	4.874	30	119.2319	11.106	37
762	762	849	6:SP2_SP2_SP3	C[6]	C[6]	P[6]	4:3:4:	4:3:1:	3:3:3:1:	P[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-1:	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]CC)(C[6]P[6]C)(H)	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(O)	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]H)(CCHH){2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]P[6]C)(H){1|O<1>,3|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(O){1|C<4>,4|C<3>,4|H<1>}	120.6130	0.000	1	120.6130	0.000	1	120.6130	0.000	1	120.6130	0.000	1	120.2357	4.874	30	119.2319	11.106	37
762	762	854	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:3:1:	3:4:4:4:	N[3x6]-3:N[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]N)(H)	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|N<3>,1|N<4>,2|C<4>,3|H<1>}	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,4|C<4>}	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	116.7445	0.074	2	116.7445	0.006	2	116.7445	0.006	2	117.4287	1.407	3	117.4287	1.407	3	114.8052	16.000	5
762	762	854	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:4:3:	3:3:1:	3:4:4:4:	N[6,6]-3:N[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,4|C<4>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	118.7970	0.000	1	118.7970	0.000	1	118.7970	0.000	1	117.4287	1.407	3	117.4287	1.407	3	114.8052	16.000	5
762	762	854	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:4:3:	3:4:3:	4:4:3:1:	N[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:N-3:	C[6]-4:In[6]-4:C[6]-3:H-1:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC)	N[6](C[6]C[6,6a]HH)(In[6]O[6]BrO)(C[6]C[6]2)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC){1|In<4>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]BrO)(C[6]C[6]2)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	113.0570	0.000	1	113.0570	0.000	1	113.0570	0.000	1	113.0570	0.000	1	110.8700	9.566	2	114.8052	16.000	5
762	762	854	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:4:3:	3:4:3:	5:4:3:1:	N[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:N-3:	In[6]-5:C[6]-4:C[6]-3:H-1:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC)	N[6](In[6]O[6]Br2O)(C[6]C[6,6a]HH)(C[6]C[6]2)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]N){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,1|O<3>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC){1|In<5>,2|C<4>,5|H<1>}	N[6](In[6]O[6]Br2O)(C[6]C[6,6a]HH)(C[6]C[6]2)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.6830	0.000	1	108.6830	0.000	1	108.6830	0.000	1	108.6830	0.000	1	110.8700	9.566	2	114.8052	16.000	5
762	762	854	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[3x6]	4:3:1:	4:3:1:	4:3:3:1:	N[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:H-1:	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)2(H){1|C<2>,1|C<4>,3|H<1>}	107.2120	0.000	1	107.2120	0.000	1	107.2120	0.000	1	107.2120	0.000	1	107.2120	0.000	1	114.1120	95.220	2
762	762	854	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	4:3:1:	3:3:4:	4:3:4:4:	N[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:C-4:	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3)	C[6](N[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){4|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)(CH3){1|C<3>,2|C<4>}	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	114.1120	95.220	2
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6,6]-4:N[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O){2|C<4>,2|S<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	122.8720	0.000	1	122.8720	0.000	1	122.8720	0.000	1	122.8720	0.000	1	122.8720	0.000	1	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(O)	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(O){1|C<2>,1|O<2>,3|C<3>}	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	122.1440	0.000	1	122.1440	0.000	1	122.1440	0.000	1	122.1440	0.000	1	122.1440	0.000	1	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[3x6]-3:N[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O)	C[6](C[6,6]C[3x6]N[6])(N[6]C[6a]C[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O){7|C<3>}	C[6](C[6,6]C[3x6]N[6])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	115.2700	0.000	1	115.2700	0.000	1	115.2700	0.000	1	117.8229	10.783	18	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[5a,6]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,3|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(O){1|S<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	113.3555	0.210	2	113.3555	0.044	2	113.3555	0.044	2	117.8229	10.783	18	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	114.9100	0.000	1	114.9100	0.000	1	114.9100	0.000	1	117.8229	10.783	18	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	123.0350	0.000	1	121.0750	1.764	4	121.0750	1.764	4	117.8229	10.783	18	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|Ru<6>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.4217	0.291	3	121.0750	1.764	4	121.0750	1.764	4	117.8229	10.783	18	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6,6]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(N[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	114.7950	0.000	1	114.7950	0.000	1	114.7950	0.000	1	117.8229	10.783	18	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C[6,6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)(C[6,6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)(C[6,6]C[6]2){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|O<1>,4|C<3>}	114.7960	1.177	3	114.7960	1.386	3	114.7960	1.386	3	117.8229	10.783	18	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br)	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]H)(Br)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]H)(Br){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|Br<1>,1|B<4>,1|H<1>,4|C<3>}	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	117.8229	10.783	18	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](N[6,6]In[6]C[6])(N[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6](C[6,6]N[6,6]C[6])2(H)	C[6,6](N[6,6]In[6]C[6])(N[6]C[6,6]H)(C[6]C[6]H){3|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|In<6>,2|C<3>,2|H<1>}	N[6](C[6,6]N[6,6]C[6])2(H){1|In<6>,2|H<1>,4|C<3>}	118.6720	0.871	2	118.6720	0.759	2	118.6720	0.759	2	117.8229	10.783	18	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|B<4>,2|H<1>,4|C<3>}	120.2110	0.000	1	120.2585	0.005	2	120.2585	0.005	2	117.8229	10.783	18	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|B<4>,2|H<1>,4|C<3>}	120.3060	0.000	1	120.2585	0.005	2	120.2585	0.005	2	117.8229	10.783	18	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]N[6])(H){1|Ru<6>,1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	122.5600	0.000	1	122.5600	0.000	1	122.5600	0.000	1	117.8229	10.783	18	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6a]-3:N[6]-2:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6])	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6]){1|H<1>,1|O<1>,6|C<3>}	115.4460	0.000	1	115.4460	0.000	1	115.4460	0.000	1	115.4460	0.000	1	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|H<1>}	122.6753	0.518	4	122.6753	0.268	4	122.6753	0.268	4	122.4836	0.385	5	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(C[6]C[6]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	121.7170	0.000	1	121.7170	0.000	1	121.7170	0.000	1	122.4836	0.385	5	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6])(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|O<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6])(O){2|H<1>,7|C<3>}	117.7910	0.383	2	117.7910	0.147	2	117.7910	0.147	2	119.2610	2.939	4	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:4:1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8480	0.000	1	120.8480	0.000	1	120.7310	0.027	2	119.2610	2.939	4	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:4:1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	120.6140	0.000	1	120.6140	0.000	1	120.7310	0.027	2	119.2610	2.939	4	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(N[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6a]C[6a]2)(N[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(N[6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6a]C[6a]2)(N[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>,2|N<3>}	120.2320	0.000	1	120.2320	0.000	1	120.2320	0.000	1	120.2320	0.000	1	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:4:1:	3:3:2:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6a]-3:Ge[6]-2:	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6])	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H){1|Ge<2>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]){1|H<1>,4|C<3>,4|C<4>}	119.6170	0.000	1	119.6170	0.000	1	119.6170	0.000	1	119.6170	0.000	1	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:4:1:	3:4:4:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(N[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(N[6]C[6]C){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(O){2|H<1>,4|C<4>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH){1|O<1>,2|H<1>,3|C<4>}	115.3110	0.000	1	115.3110	0.000	1	115.3110	0.000	1	115.3110	0.000	1	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:4:2:	3:4:1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6a]C[6]H)(CN)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6a]C[6]H)(CN){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	122.3610	0.000	1	122.3610	0.000	1	122.3610	0.000	1	122.3610	0.000	1	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:4:3:	3:3:1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]C)(H){2|C<4>,3|C<3>}	122.0750	0.662	2	122.0750	0.438	2	122.0750	0.438	2	120.2260	3.854	5	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:4:3:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H){3|C<3>,3|C<4>}	117.4500	0.000	1	117.4500	0.000	1	117.4500	0.000	1	120.2260	3.854	5	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:4:3:	3:3:1:	N[6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CHO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CHO){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	119.7650	0.105	2	119.7650	0.011	2	119.7650	0.011	2	120.2260	3.854	5	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(COO)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.9940	0.000	1	123.9940	0.000	1	123.9940	0.000	1	121.9820	4.481	3	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:4:3:	3:4:1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|N<3>,2|H<1>,3|C<4>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	119.7740	0.000	1	120.9760	2.890	2	120.9760	2.890	2	121.9820	4.481	3	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	3:4:3:	3:4:1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	122.1780	0.000	1	120.9760	2.890	2	120.9760	2.890	2	121.9820	4.481	3	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6]-4:C[6,6]-3:C-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]N[6])(CN)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]O)(H)	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]N[6])(CN){1|H<1>,6|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]O)(H){1|C<2>,1|C<4>,3|C<3>}	123.8550	0.000	2	123.8550	0.000	2	123.8550	0.000	2	123.8550	0.000	2	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	4:3:3:	3:4:1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	119.5733	0.181	3	119.4505	0.082	4	119.4505	0.082	4	119.6856	0.338	5	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	4:3:3:	3:4:1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	119.0820	0.000	1	119.4505	0.082	4	119.4505	0.082	4	119.6856	0.338	5	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	3:3:3:	4:3:3:	3:4:1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6]-4:C[6,6]-3:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[5,6]C[6a]H)(C[6,6]N[6,6]N[6])(CC[6]O)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6,6]N[6,6]N[6])(CC[6]O){2|C<3>,2|H<1>,4|C<4>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	120.6260	0.000	1	120.6260	0.000	1	120.6260	0.000	1	119.6856	0.338	5	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	4:3:3:	3:3:3:	3:3:1:	C[6,6]-4:N[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	122.0180	0.185	2	122.0180	0.034	2	121.9193	0.046	3	121.9193	0.046	3	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	4:3:3:	3:3:3:	3:3:1:	C[6,6]-4:N[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	121.7220	0.000	1	121.7220	0.000	1	121.9193	0.046	3	121.9193	0.046	3	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	4:3:3:	3:4:1:	3:3:4:	C[6,6]-4:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6a]HH){1|P<4>,3|C<4>,3|H<1>}	121.6060	0.000	1	121.6060	0.000	1	121.6060	0.000	1	121.6060	0.000	1	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	4:3:3:	3:4:1:	3:4:3:	C[5,5,6,6]-4:C[6]-3:N[6]-3:	C[6,6]-3:C[6,6]-4:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[6]C[6,6]H)(N[6]C[6]C)	C[6](C[6,6]C[5,5,6,6]N[6])(C[6,6]C[5,3x6]C[6]H)(H)	N[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]HH)(CCO)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[6]C[6,6]H)(N[6]C[6]C){1|N<3>,6|C<4>,6|H<1>}	C[6](C[6,6]C[5,5,6,6]N[6])(C[6,6]C[5,3x6]C[6]H)(H){1|C<3>,3|H<1>,6|C<4>}	N[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]HH)(CCO){3|H<1>,4|C<4>}	122.0570	0.058	2	122.0570	0.003	2	122.0570	0.003	2	122.0570	0.003	2	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	4:3:3:	3:4:4:	3:3:1:	C[6,6]-4:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CCHH)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CCHH){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|H<1>,4|C<4>}	121.3660	0.000	1	121.3660	0.000	1	121.3660	0.000	1	121.3660	0.000	1	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6,6]	C[6]	N[6]	4:3:3:	4:3:3:	3:3:1:	C[6,6]-4:N[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|N<3>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|N<3>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	122.7040	0.000	1	122.7040	0.000	1	122.7040	0.000	1	122.7040	0.000	1	119.8546	8.494	55	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:2:2:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]N[6,6]C[6])(N[6]C[6,6a])(N[6]C[6])	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[6,6]C[6])(N[6]C[6,6a])(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2){1|N<3>,2|C<3>,2|N<2>,4|H<1>}	121.9510	0.000	1	121.9510	0.000	1	121.9510	0.000	1	121.9510	0.000	1	121.9510	0.000	1	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6]2)(C[6]C[6]){1|Br<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O){2|H<1>,3|C<3>}	119.3020	0.000	1	119.3020	0.000	1	119.3020	0.000	1	119.3020	0.000	1	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:4:4:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6])	C[6](C[6]C[5]N[6])(C[6]N[6]2)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]){1|N<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5]N[6])(C[6]N[6]2)(H){1|Fe<10>,1|Pd<4>,1|C<3>,4|C<4>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	123.4010	0.000	1	123.4010	0.000	1	120.9700	11.820	2	120.9700	11.820	2	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:4:4:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6])	C[6](C[6]N[6]2)(C[6]N[6]N)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]){2|C<4>,3|N<3>,4|H<1>}	C[6](C[6]N[6]2)(C[6]N[6]N)(H){1|C<3>,1|O<2>,2|C<4>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	118.5390	0.000	1	118.5390	0.000	1	120.9700	11.820	2	120.9700	11.820	2	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:4:4:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6])	C[6](C[6]N[6]2)2(NOO)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]){2|C<4>,3|N<3>,4|H<1>}	C[6](C[6]N[6]2)2(NOO){1|C<3>,1|H<1>,4|C<4>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	123.7780	0.000	1	123.7780	0.000	1	123.7780	0.000	1	123.7780	0.000	1	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	N[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]H)2(N[6]C[6]2){1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]O)2{1|C<2>,3|C<3>,3|H<1>}	120.3400	0.000	1	120.3400	0.000	1	120.3400	0.000	1	120.3400	0.000	1	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:1:	3:3:4:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ir)(C[6]N[6]H)	C[6](C[6]N[6]2)(N[6]C[6])(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ir)(C[6]N[6]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]N[6]2)(N[6]C[6])(H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ir<6>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	118.4840	0.000	1	118.4840	0.000	1	120.4340	7.605	2	120.4340	7.605	2	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:1:	3:3:4:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]N[6]H)	C[6](C[6]N[6]2)(N[6]C[6])(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]N[6]H){1|C<3>,1|C<4>,2|H<1>,3|N<3>}	C[6](C[6]N[6]2)(N[6]C[6])(H){1|Re<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	122.3840	0.000	1	122.3840	0.000	1	120.4340	7.605	2	120.4340	7.605	2	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-2:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(N[6]S[6])	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){1|S<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6])(N[6]S[6]){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	117.2065	0.074	2	117.2065	0.006	2	117.1150	0.028	3	117.1150	0.028	3	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-2:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])2	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])2{1|N<3>,2|H<1>,4|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	116.9320	0.000	1	116.9320	0.000	1	117.1150	0.028	3	117.1150	0.028	3	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	116.3100	0.000	1	116.3100	0.000	1	116.3100	0.000	1	116.3100	0.000	1	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]N[6])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]2)(C[6]C[6]H){1|H<1>,1|N<3>,6|C<3>}	C[6](C[6]C[6,6a]N[6])(C[6]N[6]H)(H){1|Pt<4>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	121.6920	0.000	1	121.6920	0.000	1	121.6920	0.000	1	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	117.0450	0.000	1	117.0450	0.000	1	120.0671	0.725	36	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2){1|B<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	121.0329	0.528	7	120.9001	0.380	8	120.0671	0.725	36	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	119.9710	0.000	1	120.9001	0.380	8	120.0671	0.725	36	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]H)2(N[6]C[6]2){1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]O)2{1|C<2>,3|C<3>,3|H<1>}	119.9710	0.000	1	119.9710	0.000	1	120.0671	0.725	36	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Cu<6>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6]C[6]2){2|H<1>,5|C<3>}	120.2925	0.926	2	120.2925	0.857	2	120.0671	0.725	36	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	120.2860	0.304	4	120.2860	0.092	4	120.0671	0.725	36	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	N[6](C[6]C[6a]C[6])2(C[6]C[6]2)	C[6](C[6]C[6]H)2(N[6]C[6]2){7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6a]C[6])2(C[6]C[6]2){4|H<1>,7|C<3>}	119.8235	0.534	20	119.8235	0.286	20	120.0671	0.725	36	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]O)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(O)	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]O)2(N[6]C[6]2){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(O){1|C<2>,1|O<2>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	116.0700	0.000	1	116.0700	0.000	1	116.0700	0.000	1	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(N[6]C[6]B)(H)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2){1|B<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]B)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	118.8189	0.386	7	118.8189	0.149	7	118.8132	0.128	8	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	118.7740	0.000	1	118.7740	0.000	1	118.8132	0.128	8	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]N[6]2)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]2)(H){1|Cd<5>,4|C<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cd<5>,3|C<3>,3|H<1>}	118.4450	0.000	1	118.5765	0.035	2	118.8403	0.226	3	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]N[6]2)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]2)(H){1|Cd<6>,4|C<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cd<6>,3|C<3>,3|H<1>}	118.7080	0.000	1	118.5765	0.035	2	118.8403	0.226	3	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]N[6]2)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(N[6]C[6]2){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]2)(H){1|Cu<5>,4|C<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cu<5>,3|C<3>,3|H<1>}	119.3680	0.000	1	119.3680	0.000	1	118.8403	0.226	3	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	N[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]N[6]O)	C[6](N[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	124.6417	0.345	3	124.6417	0.119	3	124.2288	0.380	5	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	N[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]N[6]O)	C[6](N[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	123.6095	0.053	2	123.6095	0.003	2	124.2288	0.380	5	120.1546	2.833	54	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>,3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|Re<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,2|C<3>,3|C<4>,3|H<1>}	120.6550	0.000	1	120.6550	0.000	1	120.0305	0.780	2	120.0305	0.780	2	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ru<6>,2|C<3>,3|C<4>,3|H<1>}	119.4060	0.000	1	119.4060	0.000	1	120.0305	0.780	2	120.0305	0.780	2	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	123.9370	0.000	1	123.9370	0.000	1	122.1075	6.694	2	122.1075	6.694	2	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]V)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]V){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,1|V<7>,2|C<4>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|O<2>,1|V<7>,2|C<3>,5|H<1>}	120.2780	0.000	1	120.2780	0.000	1	122.1075	6.694	2	122.1075	6.694	2	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	115.6850	0.000	1	116.7645	2.331	2	116.7645	2.331	2	121.7664	6.594	26	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	117.8440	0.000	1	116.7645	2.331	2	116.7645	2.331	2	121.7664	6.594	26	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N[6])(Cl)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N[6])(Cl){1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	126.7350	0.000	1	125.3870	3.634	2	125.9340	2.715	3	121.7664	6.594	26	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N[6])(Cl)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N[6])(Cl){1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	124.0390	0.000	1	125.3870	3.634	2	125.9340	2.715	3	121.7664	6.594	26	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(Cl)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	127.0280	0.000	1	127.0280	0.000	1	125.9340	2.715	3	121.7664	6.594	26	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[5]N[6])(H)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(N[6]C[6]2){2|C<4>,3|N<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[5]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|S<2>,2|C<3>,6|H<1>}	121.3773	0.573	4	121.3773	0.328	4	121.9833	0.381	20	121.7664	6.594	26	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	122.1140	0.848	4	122.1348	0.295	16	121.9833	0.381	20	121.7664	6.594	26	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	122.4180	0.488	4	122.1348	0.295	16	121.9833	0.381	20	121.7664	6.594	26	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	122.3355	0.261	2	122.1348	0.295	16	121.9833	0.381	20	121.7664	6.594	26	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<4>,2|C<3>,6|H<1>}	121.9550	0.621	2	122.1348	0.295	16	121.9833	0.381	20	121.7664	6.594	26	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|O<2>,2|C<3>,6|H<1>}	122.1195	0.161	2	122.1348	0.295	16	121.9833	0.381	20	121.7664	6.594	26	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	121.6045	0.196	2	122.1348	0.295	16	121.9833	0.381	20	121.7664	6.594	26	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(O)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(O){2|Cl<1>,1|C<3>,2|C<4>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	114.9290	0.000	1	114.9290	0.000	1	114.9290	0.000	1	121.7664	6.594	26	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]N[6]H)(N[6]N[6]){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.6280	0.000	1	117.6280	0.000	1	117.6280	0.000	1	117.6280	0.000	1	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]O)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(OC)	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]O)2(N[6]C[6]2){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(OC){1|C<2>,1|O<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	118.8740	0.000	1	118.8740	0.000	1	118.8740	0.000	1	118.8740	0.000	1	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:4:4:	N[6]-3:C[6]-3:N[6]-3:	N[6]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-4:C-4:	C[6](N[6]C[6]Pt)(C[6]N[6]2)(N[6]C[6]C)	C[6](N[6]C[6]Pt)(C[6]N[6]2)(N[6]C[6])	N[6](C[6]C[6]N[6])(C[6]C[6]HO)(CH3)	C[6](N[6]C[6]Pt)(C[6]N[6]2)(N[6]C[6]C){1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6]Pt)(C[6]N[6]2)(N[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HO)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.4630	0.000	1	123.4630	0.000	1	123.4630	0.000	1	123.4630	0.000	1	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[6])2(N[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]N[6])2(N[6]C[6]H){2|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[6]2)(C[6]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	113.6120	0.000	1	113.6120	0.000	1	113.6120	0.000	1	113.6120	0.000	1	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)2	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	117.8975	0.329	2	117.8975	0.108	2	117.8975	0.108	2	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	115.3100	0.000	1	115.3100	0.000	1	116.1860	1.197	37	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.1995	1.117	26	116.2644	1.158	29	116.1860	1.197	37	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.9375	0.317	2	116.2644	1.158	29	116.1860	1.197	37	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,5|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	116.6070	0.000	1	116.2644	1.158	29	116.1860	1.197	37	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]2)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	N[6](C[6]C[6]2)2(H){2|H<1>,2|N<3>,3|C<3>}	115.2840	0.304	2	115.2840	0.092	2	116.1860	1.197	37	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4420	0.000	1	118.4420	0.000	1	116.1860	1.197	37	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	N[6](C[6]C[6]2)2(H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	N[6](C[6]C[6]2)2(H){1|S<4>,2|C<3>,2|H<1>,2|N<3>}	115.6875	0.120	2	115.6875	0.014	2	116.1860	1.197	37	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	N[6](C[6]C[6a]C[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]2)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	115.7585	1.430	2	115.7585	2.046	2	116.1860	1.197	37	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	119.5920	0.000	1	119.5920	0.000	1	116.7601	1.806	7	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	116.2160	0.000	1	116.3677	0.037	3	116.7601	1.806	7	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	116.4435	0.199	2	116.3677	0.037	3	116.7601	1.806	7	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6]C[6]2)2(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6]2)2(O){2|H<1>,2|N<3>,3|C<3>}	116.1500	0.000	1	116.1500	0.000	1	116.7601	1.806	7	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|N<3>}	116.2380	1.168	2	116.2380	1.365	2	116.7601	1.806	7	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	120.1420	0.000	1	120.1420	0.000	1	120.1420	0.000	1	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	121.0237	0.716	9	120.9092	0.587	10	120.9092	0.587	10	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	119.8790	0.000	1	120.9092	0.587	10	120.9092	0.587	10	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(C[6]C[6]O){1|O<2>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|C<4>,1|H<1>,5|C<3>}	118.0935	0.094	2	118.0935	0.009	2	118.0935	0.009	2	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(N[6]C[6]H)2	C[6](C[6]C[6]O)2(C[6]N[6]2)	N[6](C[6]C[6]N[6])2(H)	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6]O)2(C[6]N[6]2){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6]N[6])2(H){2|H<1>,5|C<3>}	121.8848	0.215	6	121.8848	0.046	6	121.8788	0.216	12	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(N[6]C[6]H)2	C[6](C[6]N[6]2)(C[6]O[6]O)2	N[6](C[6]C[6]N[6])2(H)	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|N<3>,2|C<3>,2|O<1>,2|O<2>}	C[6](C[6]N[6]2)(C[6]O[6]O)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]N[6])2(H){2|H<1>,5|C<3>}	121.8728	0.655	6	121.8728	0.429	6	121.8788	0.216	12	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(N[6]S[6]Co)	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(N[6]S[6]Co){1|H<1>,4|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2){1|S<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	118.9093	0.529	4	118.9093	0.280	4	118.9093	0.280	4	118.0747	6.321	75	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6]C[6]2)(C[6]C[6]H)(OBi)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OBi){1|N<3>,2|C<3>,2|H<1>}	117.7245	1.316	2	117.7245	1.732	2	118.7306	0.841	12	120.1018	3.584	20	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6]C[6]2)(C[6]C[6]H)(OCo)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OCo){1|N<3>,2|C<3>,2|H<1>}	119.0130	0.842	4	119.0130	0.709	4	118.7306	0.841	12	120.1018	3.584	20	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6]C[6]2)(C[6]C[6]H)(OMn)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OMn){1|N<3>,2|C<3>,2|H<1>}	119.5575	0.199	2	119.5575	0.039	2	118.7306	0.841	12	120.1018	3.584	20	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6]C[6]2)(C[6]C[6]H)(OSn)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OSn){1|N<3>,2|C<3>,2|H<1>}	118.5378	0.704	4	118.5378	0.496	4	118.7306	0.841	12	120.1018	3.584	20	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OFe)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|Fe<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OFe){1|N<3>,2|C<3>,2|H<1>}	122.2545	0.577	4	122.2545	0.333	4	122.1587	0.348	8	120.1018	3.584	20	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6]H)(ONi)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|Ni<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(ONi){1|N<3>,2|C<3>,2|H<1>}	122.0630	0.675	4	122.0630	0.456	4	122.1587	0.348	8	120.1018	3.584	20	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])2(C[6]C[6]2)	C[6](C[6]C[6]H)2(C[6]N[6]2)	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(C[6]C[6]2){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6](C[6]C[6]H)2(C[6]N[6]2){1|N<3>,6|C<3>}	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<4>,6|C<3>}	123.2935	2.592	2	121.8188	9.745	6	121.8188	9.745	6	121.8188	9.745	6	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])2(C[6]C[6]2)	C[6](C[6]C[6]H)2(C[6]N[6]2)	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(C[6]C[6]2){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6](C[6]C[6]H)2(C[6]N[6]2){1|O<2>,2|C<4>,4|C<3>}	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<4>,6|C<3>}	123.7590	2.428	2	121.8188	9.745	6	121.8188	9.745	6	121.8188	9.745	6	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])2(C[6]C[6]2)	C[6](C[6]C[6]H)2(C[6]N[6]2)	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(C[6]C[6]2){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6](C[6]C[6]H)2(C[6]N[6]2){1|O<2>,6|C<3>}	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<4>,6|C<3>}	118.4040	0.955	2	121.8188	9.745	6	121.8188	9.745	6	121.8188	9.745	6	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	119.3370	0.000	1	119.4285	0.621	10	119.4285	0.621	10	120.5012	5.797	17	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	120.0985	0.151	2	119.4285	0.621	10	119.4285	0.621	10	120.5012	5.797	17	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	117.8440	0.000	1	119.4285	0.621	10	119.4285	0.621	10	120.5012	5.797	17	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	118.9060	0.000	1	119.4285	0.621	10	119.4285	0.621	10	120.5012	5.797	17	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	119.4890	0.000	1	119.4285	0.621	10	119.4285	0.621	10	120.5012	5.797	17	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	119.6280	0.755	4	119.4285	0.621	10	119.4285	0.621	10	120.5012	5.797	17	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|Re<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	118.8240	1.459	3	118.8240	2.130	3	122.0336	9.870	7	120.5012	5.797	17	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	124.4407	0.542	4	124.4407	0.294	4	122.0336	9.870	7	120.5012	5.797	17	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]2)(N[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(C[6]N[6]2)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(C[6]N[6]2){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	119.4750	2.387	2	119.4750	5.699	2	119.7310	2.160	4	119.8105	6.675	14	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]2)(N[6]C[6]H)2	C[6](C[6]C[6]H)2(C[6]N[6]2)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]H)2(C[6]N[6]2){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	119.9870	0.721	2	119.9870	0.520	2	119.7310	2.160	4	119.8105	6.675	14	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:B[6]-4:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]B[6]H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2)	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]B[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2){1|B<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	123.4095	1.121	2	123.4095	1.256	2	123.2350	0.494	4	119.8105	6.675	14	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:B[6]-4:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]B[6]H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2)	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]B[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2){1|B<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6]N[6])(B[6]N[6]FF)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	123.0605	0.322	2	123.0605	0.104	2	123.2350	0.494	4	119.8105	6.675	14	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:4:1:	N[6]-3:C[6]-3:N[6]-3:	N[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6]Fe)(C[6]N[6]2)(N[6]C[6]H)	C[6](N[6]C[6]Fe)(C[6]N[6]2)(N[6]C[6]H)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](N[6]C[6]Fe)(C[6]N[6]2)(N[6]C[6]H){3|C<4>,5|H<1>}	C[6](N[6]C[6]Fe)(C[6]N[6]2)(N[6]C[6]H){3|C<4>,5|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|Fe<6>,1|C<4>,2|H<1>,2|N<3>}	117.5805	0.639	6	117.5805	0.408	6	117.5805	0.408	6	119.8105	6.675	14	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]H)	C[6](C[6]N[6]2)2(NOO)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]H){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6]2)2(NOO){1|C<3>,1|H<1>,4|C<4>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	125.2800	0.000	1	125.2800	0.000	1	125.2800	0.000	1	125.2800	0.000	1	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(CH3)	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(CH3){2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:3:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]C)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CCH)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]C)2(N[6]C[6]2){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CCH){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Se<2>,2|C<3>,2|C<4>,4|H<1>}	118.9507	0.459	4	118.9507	0.211	4	118.9507	0.211	4	118.9507	0.211	4	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:4:3:	3:3:4:	5:3:3:	N[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	Si[6]-5:C[6]-3:C[6]-3:	C[6](N[6]Si[6]C[6])(C[6]C[6]LiC)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CCCH)	N[6](Si[6]N[6]BrLiN)(C[6]C[6]2)(C[6]C[6]C)	C[6](N[6]Si[6]C[6])(C[6]C[6]LiC)(C[6]C[6]C){1|Br<2>,1|Li<5>,1|N<3>,1|N<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CCCH){1|Li<5>,1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	N[6](Si[6]N[6]BrLiN)(C[6]C[6]2)(C[6]C[6]C){1|Li<5>,1|H<1>,2|C<4>,4|C<3>}	120.9140	0.000	1	120.9140	0.000	1	120.9140	0.000	1	120.9140	0.000	1	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:3:	4:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]O[6]O)2	N[6](C[6]C[6]CH)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]H){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]N[6])(C[6]O[6]O)2{3|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]2)(H){1|C<4>,2|C<3>,4|H<1>}	119.9360	0.000	1	119.9360	0.000	1	119.9360	0.000	1	119.9360	0.000	1	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:4:1:	4:4:3:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]2){1|N<3>,4|C<4>,9|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){3|H<1>,4|C<4>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|O<2>,3|C<4>,6|H<1>}	124.2860	0.000	1	124.2860	0.000	1	124.2860	0.000	1	124.2860	0.000	1	119.6941	6.884	240	119.7502	7.157	298
762	762	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(N[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(N[6]C[6]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	120.3640	0.000	1	120.3640	0.000	1	120.3640	0.000	1	120.3640	0.000	1	119.5250	1.408	2	121.3207	11.809	16
762	762	856	0:SP2_SP2_SP3	C[6,6]	C[6]	N[6]	4:3:3:	3:4:1:	3:4:4:	C[5,6,6]-4:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6,6]C[5,6,6]N[6])(C[6]C[6]CH)(H)	N[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCHH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]H)(N[6]C[6]C){2|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]N[6])(C[6]C[6]CH)(H){2|H<1>,5|C<4>}	N[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCHH){3|H<1>,4|C<4>}	118.6860	0.000	1	118.6860	0.000	1	118.6860	0.000	1	118.6860	0.000	1	119.5250	1.408	2	121.3207	11.809	16
762	762	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:2:3:	3:2:2:	4:3:3:	N[6]-3:C[6]-2:C[6]-3:	C[6]-3:C[6]-2:C[6]-2:	S[6]-4:C[6]-3:C[6]-3:	C[6](N[6]C[6]S[6])(C[6]C[6,6])(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6])2	N[6](S[6]C[6,6]OO)(C[6]C[6]2)2	C[6](N[6]C[6]S[6])(C[6]C[6,6])(C[6]C[6]2){1|C<3>,2|O<1>,5|C<2>}	C[6](C[6]C[6]N[6])(C[6]C[6])2{1|C<2>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6]OO)(C[6]C[6]2)2{1|C<3>,5|C<2>}	114.0450	0.000	1	114.0450	0.000	1	114.0450	0.000	1	114.0450	0.000	1	121.5772	12.951	14	121.3207	11.809	16
762	762	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:4:4:	C[6]-3:N[6]-3:O[6]-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]O)(N[6]C[6]2)(O[6]C[6])	C[6](C[6]N[6]O[6])(C[6]N[6]O)(OSi)	N[6](C[6]C[6]O[6])(C[6]C[6]HH)2	C[6](C[6]C[6]O)(N[6]C[6]2)(O[6]C[6]){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]N[6]O[6])(C[6]N[6]O)(OSi){1|C<3>,3|C<4>}	N[6](C[6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	128.0420	0.000	1	128.0420	0.000	1	128.0420	0.000	1	128.0420	0.000	1	121.5772	12.951	14	121.3207	11.809	16
762	762	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]N[6]H)(N[6]N[6])	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	N[6](C[6]C[6]N[6])(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]H)(N[6]N[6]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	N[6](C[6]C[6]N[6])(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|N<3>}	117.4960	0.000	1	117.4960	0.000	1	117.4960	0.000	1	117.4960	0.000	1	121.5772	12.951	14	121.3207	11.809	16
762	762	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:2:1:	3:3:4:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]N[6]H)	C[6](C[6]N[6]2)(N[6]C[6])(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]N[6]H){1|C<3>,1|C<4>,2|H<1>,3|N<3>}	C[6](C[6]N[6]2)(N[6]C[6])(H){1|Re<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	122.9010	0.000	1	122.9010	0.000	1	122.9010	0.000	1	122.9010	0.000	1	121.5772	12.951	14	121.3207	11.809	16
762	762	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>,3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|Re<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,2|C<3>,3|C<4>,3|H<1>}	122.2350	0.000	1	122.2350	0.000	1	121.4037	0.670	3	121.4037	0.670	3	121.5772	12.951	14	121.3207	11.809	16
762	762	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ru<6>,2|C<3>,3|C<4>,3|H<1>}	120.5980	0.000	1	120.5980	0.000	1	121.4037	0.670	3	121.4037	0.670	3	121.5772	12.951	14	121.3207	11.809	16
762	762	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]N[6]Cl)(C[6]N[6]2)(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|Cl<1>,1|C<4>,1|N<2>,2|N<3>,3|H<1>}	C[6](C[6]N[6]Cl)(C[6]N[6]2)(H){1|Ru<6>,1|C<4>,2|C<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ru<6>,2|C<3>,3|C<4>,3|H<1>}	121.3780	0.000	1	121.3780	0.000	1	121.4037	0.670	3	121.4037	0.670	3	121.5772	12.951	14	121.3207	11.809	16
762	762	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:4:4:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]C)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	123.5605	1.122	2	123.5605	1.259	2	123.5605	1.259	2	123.5605	1.259	2	121.5772	12.951	14	121.3207	11.809	16
762	762	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	122.9895	1.421	2	122.9895	2.018	2	122.9895	2.018	2	122.9895	2.018	2	121.5772	12.951	14	121.3207	11.809	16
762	762	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	4:3:4:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,5|H<1>}	121.7230	0.000	1	121.7230	0.000	1	121.7230	0.000	1	121.7230	0.000	1	121.5772	12.951	14	121.3207	11.809	16
762	762	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:4:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(N[6]C[6]2){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	124.2490	0.000	1	124.2490	0.000	1	124.2490	0.000	1	120.2815	31.482	2	121.5772	12.951	14	121.3207	11.809	16
762	762	856	0:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:4:1:	4:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O)	N[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(N[6]C[6]2){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O){3|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	116.3140	0.000	1	116.3140	0.000	1	116.3140	0.000	1	120.2815	31.482	2	121.5772	12.951	14	121.3207	11.809	16
762	762	856	6:SP2_SP2_SP2	C[3x6]	C[6,6]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6]-3:C[6,6]-3:N[6,6]-3:	C[3x6]-3:C[6]-4:C[6]-3:	C[3x6]-3:C[6]-4:C[6]-4:	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H)	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2){10|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<4>}	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	117.8740	0.000	1	117.8740	0.000	1	117.8740	0.000	1	117.8740	0.000	1	119.9975	9.019	2	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[3x6]	C[6,6]	N[6,6]	3:3:3:	3:4:4:	3:4:4:	C[6,6]-3:C[6,6]-3:N[6,6]-3:	C[3x6]-3:C[6]-4:C[6]-4:	C[3x6]-3:C[6]-4:C[6]-4:	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH)	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2){10|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH){1|B<3>,1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	122.1210	0.000	1	122.1210	0.000	1	122.1210	0.000	1	122.1210	0.000	1	119.9975	9.019	2	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[3x6]	C[6]	N[3x6]	3:3:3:	3:3:1:	3:3:3:	N[3x6]-3:P[3x6]-3:C[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6]-3:As[3x6]-3:C[6]-3:	C[3x6](N[3x6]As[3x6]C[6])(P[3x6]C[3x6]2)(C[6]C[6]H)	C[6](C[3x6]N[3x6]P[3x6])(C[6]C[6]H)(H)	N[3x6](C[3x6]P[3x6]C[6])(As[3x6]N[3x6]2)(C[6]C[6]H)	C[3x6](N[3x6]As[3x6]C[6])(P[3x6]C[3x6]2)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[3x6]N[3x6]P[3x6])(C[6]C[6]H)(H){1|As<3>,1|H<1>,3|C<3>}	N[3x6](C[3x6]P[3x6]C[6])(As[3x6]N[3x6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	119.1740	0.432	3	119.1740	0.187	3	119.1740	0.187	3	119.1740	0.187	3	120.1716	0.594	10	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[3x6]	C[6]	N[3x6]	3:4:3:	3:3:1:	5:3:3:	N[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6]-3:H-1:	Nb[3x6]-5:C[3x6]-3:C[6]-3:	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	N[3x6](Nb[3x6]N[6,6]2NO)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|C<3>,1|N<2>,1|O<2>,2|N<3>,6|H<1>}	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>,3|C<4>}	N[3x6](Nb[3x6]N[6,6]2NO)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|Si<4>,1|C<3>,1|S<4>,2|H<1>,3|C<4>}	120.5560	0.000	1	120.5560	0.000	1	120.5560	0.000	1	120.5560	0.000	1	120.1716	0.594	10	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[3x6]	C[6]	N[3x6]	3:4:3:	3:3:1:	6:3:3:	N[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6]-3:H-1:	Nb[3x6]-6:C[3x6]-3:C[6]-3:	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	N[3x6](Nb[3x6]N[6,6]2N[6]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|N<2>,3|N<3>,6|H<1>}	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>,3|C<4>}	N[3x6](Nb[3x6]N[6,6]2N[6]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H){2|Si<4>,2|H<1>,3|C<3>,3|C<4>}	121.2410	0.000	1	121.2410	0.000	1	121.2410	0.000	1	121.2410	0.000	1	120.1716	0.594	10	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[3x6]	C[6]	N[3x6]	3:4:3:	3:3:1:	7:3:3:	N[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6]-3:H-1:	Nb[3,3,3x6]-7:C[3x6]-3:C[6]-3:	C[3x6](N[3x6]Nb[3,3,3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	N[3x6](Nb[3,3,3x6]N[3,6,6]C[3,3]N[6,6]N[3]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](N[3x6]Nb[3,3,3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,3|N<3>,6|H<1>}	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>,3|C<4>}	N[3x6](Nb[3,3,3x6]N[3,6,6]C[3,3]N[6,6]N[3]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	120.4375	0.252	4	120.4375	0.063	4	120.4375	0.063	4	120.4375	0.063	4	120.1716	0.594	10	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[3x6]	C[6]	N[3x6]	4:3:3:	3:3:1:	3:3:3:	C[3x6]-4:N[3x6]-3:C[6]-3:	C[3x6]-3:C[6]-3:H-1:	Ge[3x6]-3:C[3x6]-3:C[6]-3:	C[3x6](C[3x6]Ge[4,6,6]P[6,6]H)(N[3x6]Ge[3x6]C[6])(C[6]C[6]H)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	N[3x6](Ge[3x6]C[4,6,6]N[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]C)	C[3x6](C[3x6]Ge[4,6,6]P[6,6]H)(N[3x6]Ge[3x6]C[6])(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){2|Ge<3>,1|C<3>,1|P<4>,2|H<1>}	N[3x6](Ge[3x6]C[4,6,6]N[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]C){1|Ge<3>,1|Si<4>,2|C<3>,2|P<4>,3|H<1>}	120.6470	0.000	1	120.6470	0.000	1	120.6470	0.000	1	120.6470	0.000	1	120.1716	0.594	10	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[3x6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[3x6]-3:N[6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H)	C[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O){7|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6]){1|H<1>,1|N<3>,2|O<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	121.9110	0.000	1	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[3x6]	3:3:3:	4:3:1:	4:4:3:	C[6,6]-3:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O){2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	113.6843	0.262	3	113.6843	0.069	3	113.5016	0.063	10	113.5016	0.063	10	113.4067	0.155	11	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[3x6]	3:3:3:	4:3:1:	4:4:3:	C[6,6]-3:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O){2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	113.4640	0.000	1	113.4640	0.000	1	113.5016	0.063	10	113.5016	0.063	10	113.4067	0.155	11	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[3x6]	3:3:3:	4:3:1:	4:4:3:	C[6,6]-3:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O){2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	113.4165	0.237	6	113.4165	0.056	6	113.5016	0.063	10	113.5016	0.063	10	113.4067	0.155	11	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[3x6]	3:3:3:	4:3:2:	4:4:3:	C[6,6]-3:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NO)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NO){2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|N<2>,4|H<1>}	112.4580	0.000	1	112.4580	0.000	1	112.4580	0.000	1	112.4580	0.000	1	113.4067	0.155	11	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	N[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6]O)(O[6]C[6])	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6]O)(O[6]C[6]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	116.1850	0.000	1	116.1850	0.000	1	116.1850	0.000	1	116.1850	0.000	1	118.5562	1.299	30	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	N[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]O[6])(C[6,6]N[6,6]C[6])(C[6]C[6,6a]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|F<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6,6]N[6,6]C[6])(C[6]C[6,6a]O){1|B<4>,1|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	119.4200	0.007	2	119.4200	0.000	2	119.4200	0.000	2	119.4200	0.000	2	118.5562	1.299	30	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.9545	0.347	2	118.5165	1.216	25	118.5165	1.216	25	118.5165	1.216	25	118.5562	1.299	30	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	118.5207	1.218	20	118.5165	1.216	25	118.5165	1.216	25	118.5165	1.216	25	118.5562	1.299	30	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	118.4570	0.000	1	118.5165	1.216	25	118.5165	1.216	25	118.5165	1.216	25	118.5562	1.299	30	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	117.8760	0.000	1	118.5165	1.216	25	118.5165	1.216	25	118.5165	1.216	25	118.5562	1.299	30	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	118.2570	0.000	1	118.5165	1.216	25	118.5165	1.216	25	118.5165	1.216	25	118.5562	1.299	30	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6,6]	3:3:4:	3:4:3:	3:3:3:	N[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]){1|C<2>,2|C<4>,4|C<3>,4|H<1>}	119.3740	0.000	2	119.3740	0.000	2	119.3740	0.000	2	119.3740	0.000	2	118.5562	1.299	30	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:2:	3:3:2:	3:3:4:	C[6,6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6,6]-3:S[6]-2:	C[5a,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a])	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3)	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a]){1|C<4>,1|S<2>,3|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3){2|C<3>,3|S<2>}	117.6560	0.000	1	117.2460	0.336	2	118.2105	1.352	4	118.2105	1.352	4	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:2:	3:3:2:	3:3:4:	C[6,6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6,6]-3:S[6]-2:	C[5a,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a])	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3)	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a]){1|H<1>,2|C<3>,2|N<2>}	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a]){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3){2|C<3>,3|S<2>}	116.8360	0.000	1	117.2460	0.336	2	118.2105	1.352	4	118.2105	1.352	4	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:2:	3:3:2:	3:3:4:	C[6,6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6,6]-3:S[6]-2:	C[5a,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6])	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]N[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3)	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6]){1|H<1>,2|C<3>,2|N<2>}	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]N[6]){1|C<4>,1|S<2>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3){2|C<3>,3|S<2>}	119.1750	0.000	2	119.1750	0.000	2	118.2105	1.352	4	118.2105	1.352	4	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:2:	3:3:2:	3:4:1:	C[6,6]-3:N[6]-3:O[6]-2:	C[5,6]-3:C[6,6]-3:N[6]-2:	C[6,6]-3:B[6]-4:H-1:	C[6,6](C[6,6]C[5,6]N[6])(N[6]B[6]H)(O[6]B[6])	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]N[6]O[6])(N[6]N[6])	N[6](C[6,6]C[6,6]O[6])(B[6]N[6]FF)(H)	C[6,6](C[6,6]C[5,6]N[6])(N[6]B[6]H)(O[6]B[6]){1|S<2>,2|N<3>,4|F<1>}	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]N[6]O[6])(N[6]N[6]){1|H<1>,2|B<4>,3|C<3>}	N[6](C[6,6]C[6,6]O[6])(B[6]N[6]FF)(H){1|B<4>,1|N<2>,2|C<3>}	117.7460	0.683	2	117.7460	0.467	2	117.7460	0.467	2	117.7460	0.467	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:2:	3:3:3:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(C[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(CH3)	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(C[6]C[6]){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(CH3){1|H<1>,5|C<3>}	119.3380	0.000	1	119.3380	0.000	1	119.3380	0.000	1	119.3912	0.092	4	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:2:	3:3:3:	3:3:4:	C[6,6]-3:N[6]-3:N[6]-2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6])	C[6,6](C[6,6]N[6]2)(N[6]C[6]Co)(C[6]N[6]O)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6]){1|Co<6>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6,6](C[6,6]N[6]2)(N[6]C[6]Co)(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	119.8180	0.000	1	119.8180	0.000	1	119.4090	0.136	3	119.3912	0.092	4	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:2:	3:3:3:	3:3:4:	C[6,6]-3:N[6]-3:N[6]-2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6])	C[6,6](C[6,6]N[6]2)(N[6]C[6]Cu)(C[6]N[6]O)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6]){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6,6](C[6,6]N[6]2)(N[6]C[6]Cu)(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	119.2045	0.145	2	119.2045	0.021	2	119.4090	0.136	3	119.3912	0.092	4	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:2:	3:3:3:	3:4:3:	N[6]-3:C[6,6]-3:N[6]-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[5]-4:C[6]-3:	C[6,6](N[6]C[5]C[6])(C[6,6]C[6]2)(N[6]C[6])	C[6,6](C[6,6]N[6]2)(C[6]N[6]N)(C[6]N[6]O)	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H)	C[6,6](N[6]C[5]C[6])(C[6,6]C[6]2)(N[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>,2|O<1>}	C[6,6](C[6,6]N[6]2)(C[6]N[6]N)(C[6]N[6]O){1|C<4>,2|C<3>}	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:2:	3:4:3:	3:3:4:	C[6,6]-3:N[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]N[6]O[6])(C[6]C[6]CC)(C[6]N[6]O)	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]S)(CCHH)	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,1|S<1>,4|C<4>}	C[6,6](C[6,6]N[6]O[6])(C[6]C[6]CC)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]S)(CCHH){1|C<3>,3|C<4>}	122.8850	0.000	1	122.8850	0.000	1	122.8850	0.000	1	122.8850	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:2:	4:3:3:	3:3:1:	N[6]-3:C[6,6]-3:O[6]-2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(O[6]B[6])	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C){1|B<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	121.6160	0.000	1	121.6160	0.000	1	121.6160	0.000	1	121.6160	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:2:	4:3:3:	3:4:4:	C[6,6]-3:N[6]-3:O[6]-2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6])(C[6]N[6]O)	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6])(C[6]N[6]O){3|H<1>,6|C<4>}	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>}	122.9630	0.000	1	122.9630	0.000	1	122.9630	0.000	1	122.9630	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:2:2:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:N[6]-2:C[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a])(C[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a])(C[6]C[6]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	116.6020	0.000	1	116.6020	0.000	1	116.6020	0.000	1	116.6020	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:2:3:	3:3:4:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(N[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(O[6]C[5,6])(C[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(O[6]C[5,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|H<1>}	118.9098	0.689	4	118.9098	0.475	4	118.9098	0.475	4	118.9098	0.475	4	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H)	N[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.9460	0.000	1	121.9460	0.000	1	121.9460	0.000	1	119.2615	1.785	6	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	118.7246	0.263	5	118.7246	0.069	5	118.7246	0.069	5	119.2615	1.785	6	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:N[6]-2:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6])	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|N<2>,2|O<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6]){1|H<1>,1|O<1>,6|C<3>}	121.1820	0.000	1	121.1820	0.000	1	121.1820	0.000	1	121.1820	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:3:3:	3:3:5:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:B-5:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)(N[6]C[6]B)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(BRhH3)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)(N[6]C[6]B){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Rh<7>,1|B<5>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(BRhH3){1|H<1>,3|C<3>}	120.7840	0.000	1	120.7840	0.000	1	120.7840	0.000	1	120.7840	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6])(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6])(O){2|H<1>,7|C<3>}	121.7715	0.105	2	121.7715	0.011	2	121.7715	0.011	2	119.4927	15.585	3	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(N[6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	114.9350	0.000	1	114.9350	0.000	1	114.9350	0.000	1	119.4927	15.585	3	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(N[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(N[6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>,2|N<3>}	119.0900	0.000	1	119.0900	0.000	1	119.0900	0.000	1	119.0900	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:S[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5a,6]O)(S[6]C[6]OO)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,3|O<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5a,6]O)(S[6]C[6]OO){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	124.6465	0.364	2	124.6465	0.133	2	124.6465	0.133	2	123.8373	2.031	3	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]CH)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(N[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]CH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	122.2190	0.000	1	122.2190	0.000	1	122.2190	0.000	1	123.8373	2.031	3	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6a]-3:Ge[6]-2:	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6])	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<2>,1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]){1|H<1>,4|C<3>,4|C<4>}	117.5600	0.000	1	117.5600	0.000	1	117.5600	0.000	1	117.5600	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	N[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.1250	0.000	1	119.1250	0.000	1	119.1250	0.000	1	118.2654	18.463	5	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(N[6]C[6]Ru)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|Ru<6>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(N[6]C[6]Ru){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.5087	0.456	3	120.5087	0.208	3	120.5087	0.208	3	118.2654	18.463	5	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:4:3:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]N[6]H){1|Ru<6>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	110.6760	0.000	1	110.6760	0.000	1	110.6760	0.000	1	118.2654	18.463	5	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH)	N[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6a]N[6]H)(C[6]C[6]HH){4|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(H){1|H<1>,2|C<3>,2|C<4>}	119.9310	0.364	3	119.9310	0.133	3	119.9310	0.133	3	119.9310	0.133	3	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:4:4:	3:3:4:	C[6,6a]-3:N[6]-3:C[6,6]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]N[6]HH)	N[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6,6]C[6]2){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,5|C<3>}	120.8900	0.000	1	120.8900	0.000	1	120.8900	0.000	1	120.8900	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:4:4:	3:4:4:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(N[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(N[6]C[6]C){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2{1|O<1>,3|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH){1|O<1>,2|H<1>,3|C<4>}	123.1770	0.000	1	123.1770	0.000	1	123.1770	0.000	1	123.6220	0.396	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	3:4:4:	3:4:4:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	124.0670	0.000	1	124.0670	0.000	1	124.0670	0.000	1	123.6220	0.396	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	122.2370	0.000	1	122.2370	0.000	1	122.2370	0.000	1	121.7986	2.517	5	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]H)	C[6,6](C[5,6]C[5,6]N[5]O)(C[6,6]C[6,6a]N[6])(C[6]C[6]H)	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]N[5]O)(C[6,6]C[6,6a]N[6])(C[6]C[6]H){1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.0680	0.000	1	119.0680	0.000	1	119.0680	0.000	1	121.7986	2.517	5	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6,6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)(C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)(C[6,6]C[6]2){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|O<1>,4|C<3>}	122.5627	0.578	3	122.5627	0.334	3	122.5627	0.334	3	121.7986	2.517	5	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(C[6]C[6]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	119.5840	0.000	1	119.5840	0.000	1	119.5840	0.000	1	119.5840	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:3:	4:3:4:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H){3|C<3>,3|C<4>}	119.3230	0.000	1	119.3230	0.000	1	119.3230	0.000	1	119.3230	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	3:2:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:S[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a])(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	123.4440	0.000	1	123.4440	0.000	1	123.4440	0.000	1	123.4440	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	3:3:4:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|P<4>,2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])2(O){1|C<3>,2|H<1>,2|P<4>,4|C<4>}	119.4980	0.000	1	119.4980	0.000	1	119.4980	0.000	1	119.9680	0.442	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	3:3:4:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]N)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	120.4380	0.000	1	120.4380	0.000	1	120.4380	0.000	1	119.9680	0.442	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	3:3:4:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6a]-3:Ge[6]-3:	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]Cl)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]Cl){2|H<1>,4|C<3>,4|C<4>}	124.3910	0.000	1	124.3910	0.000	1	124.5467	0.019	3	124.5467	0.019	3	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	3:3:4:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6a]-3:Ge[6]-3:	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]N)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]N){2|H<1>,4|C<3>,4|C<4>}	124.6450	0.000	1	124.6450	0.000	1	124.5467	0.019	3	124.5467	0.019	3	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	3:3:4:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6a]-3:Ge[6]-3:	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]O)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]O){2|H<1>,4|C<3>,4|C<4>}	124.6040	0.000	1	124.6040	0.000	1	124.5467	0.019	3	124.5467	0.019	3	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	3:4:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	119.8605	0.349	2	119.8605	0.122	2	119.8605	0.122	2	119.8605	0.122	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	3:4:3:	3:3:2:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:O-2:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(OH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])2(OH){2|C<3>,3|C<4>,4|H<1>}	119.0840	0.178	2	119.0840	0.032	2	119.0840	0.032	2	119.0840	0.032	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	3:4:3:	3:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(NCH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])2(NCH){2|C<3>,3|C<4>,4|H<1>}	119.5662	0.247	4	119.5662	0.061	4	119.5662	0.061	4	120.1926	0.392	14	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	3:4:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,4|C<4>,5|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	121.3960	0.000	1	121.3960	0.000	1	121.3680	0.002	2	120.1926	0.392	14	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	3:4:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	121.3400	0.000	1	121.3400	0.000	1	121.3680	0.002	2	120.1926	0.392	14	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	3:4:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	120.0358	0.080	4	120.2120	0.083	8	120.2120	0.083	8	120.1926	0.392	14	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	3:4:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	120.3882	0.324	4	120.2120	0.083	8	120.2120	0.083	8	120.1926	0.392	14	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	3:4:3:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(CCHH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	120.8702	0.719	4	120.8702	0.517	4	120.8702	0.517	4	120.7486	0.462	5	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	3:4:3:	3:3:4:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH){2|C<4>,4|C<3>,4|H<1>}	120.2620	0.000	1	120.2620	0.000	1	120.2620	0.000	1	120.7486	0.462	5	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	123.0045	0.368	2	123.0045	0.136	2	122.2591	0.379	7	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	122.4670	0.000	1	122.2885	0.064	2	122.2591	0.379	7	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	122.1100	0.000	1	122.2885	0.064	2	122.2591	0.379	7	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	121.8905	0.182	2	121.7427	0.082	3	122.2591	0.379	7	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	121.4470	0.000	1	121.7427	0.082	3	122.2591	0.379	7	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH)	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.5670	0.000	1	121.5460	0.001	2	121.5460	0.001	2	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH)	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	N[6](C[5,6]N[5,6]N[5])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.5250	0.000	1	121.5460	0.001	2	121.5460	0.001	2	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	120.8505	0.005	2	120.8505	0.000	2	120.5461	0.616	35	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	120.6111	0.831	28	120.5276	0.648	33	120.5461	0.616	35	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	120.0598	0.446	5	120.5276	0.648	33	120.5461	0.616	35	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.0877	0.205	3	122.1550	0.046	4	122.0068	0.144	5	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	122.3570	0.000	1	122.1550	0.046	4	122.0068	0.144	5	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	121.4140	0.000	1	121.4140	0.000	1	122.0068	0.144	5	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,3|C<4>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	120.4040	0.000	1	120.4040	0.000	1	121.4281	0.487	10	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	121.3032	0.731	5	121.3032	0.534	5	121.4281	0.487	10	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	121.5525	0.080	2	121.5525	0.006	2	121.4281	0.487	10	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	122.1280	0.324	2	122.1280	0.105	2	121.4281	0.487	10	121.0565	0.928	59	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:2:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:O-2:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(OH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])2(OH){2|C<3>,3|C<4>,4|H<1>}	119.2135	0.218	2	119.2135	0.048	2	119.2135	0.048	2	119.2135	0.048	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	121.7110	0.231	3	121.7110	0.053	3	121.7110	0.053	3	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(NHH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])2(NHH){2|C<3>,3|C<4>,4|H<1>}	119.2815	0.309	2	119.2815	0.095	2	119.2815	0.095	2	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	121.8170	0.000	1	121.7193	0.350	4	121.6028	0.330	5	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	121.5810	0.000	1	121.7193	0.350	4	121.6028	0.330	5	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|S<4>,3|C<3>,3|C<4>,6|H<1>}	121.0250	0.000	1	121.7193	0.350	4	121.6028	0.330	5	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	122.4540	0.000	1	121.7193	0.350	4	121.6028	0.330	5	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	121.1370	0.000	1	121.1370	0.000	1	121.6028	0.330	5	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){1|F<1>,3|C<4>,4|C<3>,5|H<1>}	120.3500	0.239	2	120.4412	0.134	19	120.4197	0.136	20	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){1|S<2>,2|C<4>,4|C<3>,6|H<1>}	119.6030	0.000	1	120.4412	0.134	19	120.4197	0.136	20	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	120.5344	0.362	12	120.4412	0.134	19	120.4197	0.136	20	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	120.4165	0.164	4	120.4412	0.134	19	120.4197	0.136	20	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){1|S<2>,2|C<4>,4|C<3>,6|H<1>}	120.0120	0.000	1	120.0120	0.000	1	120.4197	0.136	20	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	120.9015	0.107	2	120.9847	0.026	3	120.4630	0.406	6	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	121.1510	0.000	1	120.9847	0.026	3	120.4630	0.406	6	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,2|O<1>,3|C<3>,4|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	119.4970	0.000	1	119.9413	0.172	3	120.4630	0.406	6	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	120.1635	0.218	2	119.9413	0.172	3	120.4630	0.406	6	120.6356	0.545	36	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CCHH)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	121.7660	0.000	1	121.7660	0.000	1	121.9280	0.052	2	120.4239	0.538	29	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CC[6a]HH)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	122.0900	0.000	1	122.0900	0.000	1	121.9280	0.052	2	120.4239	0.538	29	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]C)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CH3)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	121.4740	0.000	1	121.4740	0.000	1	121.4740	0.000	1	120.4239	0.538	29	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(CCHH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	120.1990	0.434	8	120.2698	0.185	14	120.3133	0.287	20	120.4239	0.538	29	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(CCHH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	120.3642	0.445	6	120.2698	0.185	14	120.3133	0.287	20	120.4239	0.538	29	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(CC[6a]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])2(CC[6a]HH){2|C<3>,3|C<4>,4|H<1>}	120.7830	0.661	4	120.7830	0.437	4	120.3133	0.287	20	120.4239	0.538	29	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(CH3)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])2(CH3){2|C<3>,3|C<4>,4|H<1>}	119.6785	0.144	2	119.6785	0.021	2	120.3133	0.287	20	120.4239	0.538	29	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:4:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[3]-4:	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[3]C[3]2H)	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<3>,5|C<4>}	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[3]C[3]2H){2|C<4>,4|C<3>,6|H<1>}	121.0480	0.000	2	121.0480	0.000	2	121.0480	0.000	2	120.4239	0.538	29	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:4:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[3]-4:	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H){2|C<3>,3|C<4>,8|H<1>}	120.0085	0.056	2	119.6505	0.173	4	119.6505	0.173	4	120.4239	0.538	29	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	3:3:4:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[3]-4:	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H){2|C<3>,3|C<4>,8|H<1>}	119.2925	0.067	2	119.6505	0.173	4	119.6505	0.173	4	120.4239	0.538	29	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	4:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,2|C<4>,8|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	121.2560	0.000	1	121.2560	0.000	1	121.3900	0.040	3	121.3900	0.040	3	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	4:3:1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	121.4570	0.231	2	121.4570	0.053	2	121.3900	0.040	3	121.3900	0.040	3	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	N[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	121.1960	0.000	1	121.1960	0.000	1	121.1960	0.000	1	120.5410	0.319	6	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH)	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[3x6]C[5x6]N[6,6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	N[6](C[3x6]C[5x6]N[6,6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	120.3215	0.687	2	120.3215	0.471	2	120.3215	0.471	2	120.5410	0.319	6	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,3|C<3>,6|H<1>}	N[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	121.0780	0.000	1	121.0780	0.000	1	120.4690	0.290	3	120.5410	0.319	6	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Br<1>,3|C<4>,4|C<3>,5|H<1>}	120.0550	0.000	1	120.0550	0.000	1	120.4690	0.290	3	120.5410	0.319	6	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:3:	4:3:3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,3|C<4>,6|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<2>,3|C<4>,4|C<3>,4|H<1>}	120.2740	0.000	1	120.2740	0.000	1	120.4690	0.290	3	120.5410	0.319	6	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:3:4:	4:3:4:	3:3:2:	N[6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6a]-3:Ge[6]-2:	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6])	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|Ge<2>,1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(Ge[6]N[6]){2|H<1>,3|C<3>,5|C<4>}	122.9860	0.000	1	122.9860	0.000	1	122.9860	0.000	1	122.9860	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	3:3:3:	3:4:4:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){3|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH){1|C<4>,2|C<3>,3|H<1>}	120.9835	0.293	2	120.9835	0.086	2	120.9835	0.086	2	120.9835	0.086	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	3:4:3:	3:2:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	119.6900	0.000	1	119.6900	0.000	1	119.6900	0.000	1	119.6900	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,2|C<4>,3|H<1>}	119.1105	0.238	2	119.1105	0.057	2	119.1105	0.057	2	119.1105	0.057	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	3:4:3:	3:4:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O){2|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H){1|C<3>,2|C<4>,4|H<1>}	125.9240	0.000	1	125.9240	0.000	1	124.3130	5.191	2	124.3130	5.191	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	3:4:3:	3:4:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	122.7020	0.000	1	122.7020	0.000	1	124.3130	5.191	2	124.3130	5.191	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	3:4:3:	3:4:4:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,3|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.2260	0.109	2	121.2260	0.012	2	121.2260	0.012	2	121.3337	0.041	3	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	3:4:3:	3:4:4:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6a]-3:C[6]-4:C[6,6]-3:	C[6,6]-3:S[6]-4:C-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]S[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6])	N[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a]OO)(CH3)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]S[6]C){1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6,6]C[6]N[6]){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a]OO)(CH3){2|C<3>,2|C<4>,2|H<1>}	121.5490	0.000	1	121.5490	0.000	1	121.5490	0.000	1	121.3337	0.041	3	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	120.6470	0.013	2	120.6470	0.000	2	120.2600	0.377	23	120.2600	0.377	23	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.5520	0.000	1	118.5520	0.000	1	120.2600	0.377	23	120.2600	0.377	23	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	120.2320	0.300	9	120.2298	0.131	15	120.2600	0.377	23	120.2600	0.377	23	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	119.7950	0.383	2	120.2298	0.131	15	120.2600	0.377	23	120.2600	0.377	23	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	120.4423	0.370	4	120.2298	0.131	15	120.2600	0.377	23	120.2600	0.377	23	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	121.2930	0.106	2	121.2930	0.011	2	120.2600	0.377	23	120.2600	0.377	23	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	120.7080	0.000	1	120.7080	0.000	1	120.2600	0.377	23	120.2600	0.377	23	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|H<1>}	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]N[6]S)(H){1|C<3>,2|C<4>,3|H<1>}	119.3500	0.000	1	119.3500	0.000	1	120.2600	0.377	23	120.2600	0.377	23	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.0430	0.000	1	120.0430	0.000	1	120.2600	0.377	23	120.2600	0.377	23	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	4:3:4:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H)	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,4|H<1>}	120.2760	0.000	1	120.2760	0.000	1	120.2760	0.000	1	120.2760	0.000	1	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	4:3:4:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C)	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCO)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C){1|N<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,5|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCO){3|C<4>,4|H<1>}	119.6940	0.000	1	119.6940	0.000	1	120.2610	0.643	2	120.2610	0.643	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	3:4:3:	4:3:4:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C)	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]C){1|N<3>,4|C<4>,5|H<1>}	C[6,6](C[3x6]C[3x6]C[6]N[6])(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,5|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O){3|C<4>,4|H<1>}	120.8280	0.000	1	120.8280	0.000	1	120.2610	0.643	2	120.2610	0.643	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	4:3:3:	3:4:3:	3:3:1:	C[5,6]-4:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O)	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	N[6](C[6,6]C[5,6]C[6,6])(C[6]C[6a]C[6])(O)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6,6]C[5,6]C[6,6])(C[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>,3|C<4>}	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	120.2605	0.045	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	4:3:3:	3:4:3:	3:3:1:	C[6]-4:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	120.4100	0.000	1	120.4100	0.000	1	120.4100	0.000	1	120.2605	0.045	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	4:3:3:	3:4:3:	3:3:4:	C[6]-4:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	120.0425	0.128	4	120.0425	0.016	4	120.0425	0.016	4	120.0425	0.016	4	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	4:3:3:	4:3:3:	3:3:1:	P[6]-4:C[6,6]-3:N[6]-3:	P[6]-4:C[6,6]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](P[6]C[6,6a]C[6a]2)(C[6,6]N[6]P[6])(N[6]C[6,6a]H)	C[6,6](P[6]C[6,6a]C[6a]2)(C[6,6]N[6]P[6])(N[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]P[6])(H)	C[6,6](P[6]C[6,6a]C[6a]2)(C[6,6]N[6]P[6])(N[6]C[6,6a]H){10|C<3>,1|H<1>}	C[6,6](P[6]C[6,6a]C[6a]2)(C[6,6]N[6]P[6])(N[6]C[6,6a]H){10|C<3>,1|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]P[6])(H){1|H<1>,1|N<3>,1|P<4>,5|C<3>}	126.3405	0.330	2	126.3405	0.109	2	126.3405	0.109	2	126.3405	0.109	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	5:3:3:	3:3:3:	3:3:1:	C[6]-5:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6]OYY)(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6]C[6]OYY)(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Y<14>,1|O<3>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|Y<14>,1|H<1>,1|O<3>,3|C<3>}	118.3770	0.000	1	118.3770	0.000	1	118.4775	0.020	2	118.4775	0.020	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6,6]	N[6]	5:3:3:	3:3:3:	3:3:1:	C[6]-5:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6]Yb2O)(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6]C[6]Yb2O)(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Yb<14>,1|O<3>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|Yb<14>,1|H<1>,1|O<3>,3|C<3>}	118.5780	0.000	1	118.5780	0.000	1	118.4775	0.020	2	118.4775	0.020	2	120.5734	2.509	264	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[3x6]	3:3:2:	3:3:1:	3:3:4:	N[3x6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H)	N[3x6](C[6,6]C[6]N[6])2(B[6,6]O[6]2F)	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[3x6](C[6,6]C[6]N[6])2(B[6,6]O[6]2F){2|H<1>,3|C<3>}	119.0012	0.168	4	119.0012	0.028	4	119.0012	0.028	4	119.0012	0.028	4	119.3653	1.894	23	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[3x6]	3:3:2:	3:3:1:	4:3:3:	N[3x6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:H-1:	B[6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H)	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2{4|H<1>,5|C<3>}	118.8755	0.073	2	118.7010	0.061	4	118.7010	0.061	4	118.7010	0.061	4	119.3653	1.894	23	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[3x6]	3:3:2:	3:3:1:	4:3:3:	N[3x6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:H-1:	B[6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H)	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2{4|H<1>,5|C<3>}	118.5265	0.237	2	118.7010	0.061	4	118.7010	0.061	4	118.7010	0.061	4	119.3653	1.894	23	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[3x6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:P[6,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6]P[6,6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H)	N[3x6](C[6,6]C[6,6a]C[6])2(P[6,6]O[6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6]P[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H){1|H<1>,1|P<3>,3|C<3>}	N[3x6](C[6,6]C[6,6a]C[6])2(P[6,6]O[6]2){2|H<1>,5|C<3>}	118.2930	0.000	1	118.2930	0.000	1	118.2930	0.000	1	118.2930	0.000	1	119.3653	1.894	23	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[3x6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H)	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]C[6a]O[6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,5|C<3>}	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]C[6a]O[6]2){2|H<1>,7|C<3>}	119.0654	0.324	10	119.0654	0.105	10	119.0922	0.096	12	119.0922	0.096	12	119.3653	1.894	23	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[3x6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H)	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]O[6]2O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){1|H<1>,3|O<2>,5|C<3>}	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]O[6]2O){2|H<1>,5|C<3>}	119.2265	0.258	2	119.2265	0.067	2	119.0922	0.096	12	119.0922	0.096	12	119.3653	1.894	23	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[3x6]	3:4:3:	3:3:1:	3:3:4:	N[3x6]-3:N[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]N)(H)	N[3x6](C[6,6]C[6]N[6])2(C[6,6]C[6]2H)	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|N<3>,1|N<4>,2|C<4>,3|H<1>}	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,4|C<4>}	N[3x6](C[6,6]C[6]N[6])2(C[6,6]C[6]2H){1|C<3>,6|C<4>,6|H<1>}	123.5970	0.448	2	123.5970	0.201	2	123.5970	0.201	2	123.5970	0.201	2	119.3653	1.894	23	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:2:3:	3:3:1:	3:3:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:Ge[6]-3:C[6]-3:	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]Cl)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]Cl)(C[6]C[6]H){2|H<1>,3|C<3>}	117.3350	0.028	2	117.3350	0.001	2	117.3887	0.009	3	117.3887	0.009	3	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:2:3:	3:3:1:	3:3:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:Ge[6]-3:C[6]-3:	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]N)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]N)(C[6]C[6]H){2|H<1>,3|C<3>}	117.4960	0.000	1	117.4960	0.000	1	117.3887	0.009	3	117.3887	0.009	3	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:2:3:	3:3:1:	3:3:4:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[5,6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[5,6])(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){1|B<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF){2|H<1>,5|C<3>}	121.0717	0.230	3	121.0717	0.053	3	120.5044	0.637	5	120.5044	0.637	5	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:2:3:	3:3:1:	3:3:4:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[6,6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[6,6])(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){1|B<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF){2|H<1>,5|C<3>}	119.6535	0.170	2	119.6535	0.029	2	120.5044	0.637	5	120.5044	0.637	5	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:2:3:	3:3:1:	3:4:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	119.5390	0.218	5	119.5390	0.047	5	119.2266	0.309	8	118.3491	2.533	11	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:2:3:	3:3:1:	3:4:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl){2|H<1>,3|C<3>}	119.2140	0.000	1	119.2140	0.000	1	119.2266	0.309	8	118.3491	2.533	11	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:2:3:	3:3:1:	3:4:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	118.8300	0.000	1	118.8300	0.000	1	119.2266	0.309	8	118.3491	2.533	11	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:2:3:	3:3:1:	3:4:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	118.0740	0.000	1	118.0740	0.000	1	119.2266	0.309	8	118.3491	2.533	11	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:2:3:	3:3:1:	3:4:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6,6]C[6]2)(N[6]C[6,6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H)	C[6,6](N[6,6]C[6]2)(N[6]C[6,6])(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H){2|H<1>,3|C<3>}	116.3170	0.100	2	116.3170	0.010	2	116.3170	0.010	2	118.3491	2.533	11	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:2:3:	3:3:1:	3:4:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:S[6]-4:C[6]-3:	C[6,6](N[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a]OO)(C[6]C[6]H)	C[6,6](N[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]C)(H){1|H<1>,1|S<4>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a]OO)(C[6]C[6]H){2|H<1>,3|C<3>}	115.3930	0.000	1	115.3930	0.000	1	115.3930	0.000	1	118.3491	2.533	11	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:2:3:	3:3:1:	4:3:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H){2|H<1>,7|C<3>}	119.7190	0.000	1	119.7190	0.000	1	119.7190	0.000	1	121.2735	4.833	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:2:3:	3:3:1:	4:3:3:	N[6,6]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6]N[6,6]O[6])(C[6]C[6]H)(H)	N[6,6](B[5,6]C[6,6a]O[5]2)(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6,6](N[6,6]B[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]N[6,6]O[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[6,6](B[5,6]C[6,6a]O[5]2)(C[6,6]C[6]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	122.8280	0.000	1	122.8280	0.000	1	122.8280	0.000	1	121.2735	4.833	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:2:3:	3:3:2:	3:4:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OC)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]O){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OC){1|B<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){1|H<1>,1|O<2>,3|C<3>}	118.4630	0.636	2	118.4630	0.405	2	118.4630	0.405	2	118.4630	0.405	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:2:3:	3:4:3:	3:3:4:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]C)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[5a]H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]S)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]C){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[5a]H){1|C<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]S)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	118.8000	0.000	1	118.8000	0.000	1	118.8000	0.000	1	118.8000	0.000	1	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:2:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](N[6,6]C[6]2)(C[6]C[6]Cl)(N[6]N[6])	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(Cl)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N)	C[6,6](N[6,6]C[6]2)(C[6]C[6]Cl)(N[6]N[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(Cl){1|H<1>,1|N<3>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	114.4850	0.000	1	114.4850	0.000	1	114.4850	0.000	1	116.5935	8.892	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:2:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:S[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]H)(S[6]C[6])	C[6](C[6,6]N[6,6]S[6])(C[6]C[6]H)(H)	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]S[6])(C[6]C[6]H)	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]H)(S[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]S[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]S[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	118.7020	0.000	1	118.7020	0.000	1	118.7020	0.000	1	116.5935	8.892	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:2:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){1|B<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF){2|H<1>,5|C<3>}	119.6740	0.000	1	119.6740	0.000	1	120.1455	0.181	11	119.8127	1.493	12	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:2:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){1|B<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){2|H<1>,4|C<3>}	120.6390	0.000	1	120.6390	0.000	1	120.1455	0.181	11	119.8127	1.493	12	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:2:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){1|B<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){1|H<1>,4|C<3>}	120.0270	0.625	3	120.1430	0.168	9	120.1455	0.181	11	119.8127	1.493	12	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:2:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|F<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){1|B<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){2|H<1>,4|C<3>}	120.5130	0.000	2	120.1430	0.168	9	120.1455	0.181	11	119.8127	1.493	12	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:2:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){1|B<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){1|H<1>,4|C<3>}	120.0450	0.263	4	120.1430	0.168	9	120.1455	0.181	11	119.8127	1.493	12	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:2:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	116.1520	0.000	1	116.1520	0.000	1	116.1520	0.000	1	119.8127	1.493	12	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:2:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,2|H<1>}	119.3324	0.232	5	119.3324	0.054	5	119.3324	0.054	5	119.1017	0.363	6	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:2:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.9480	0.000	1	117.9480	0.000	1	117.9480	0.000	1	119.1017	0.363	6	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:2:	3:3:3:	3:3:4:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]C)(N[6]C[6])	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(CC[6a]O)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]C)(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(CC[6a]O){2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	116.0000	0.000	1	116.0000	0.000	1	116.0000	0.000	1	116.0000	0.000	1	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:2:	3:4:3:	3:4:3:	N[6,6]-3:C[6]-3:S[6]-2:	C[6,6]-3:C[6]-4:N-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6])	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO)	N[6,6](C[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6]N[6,6]S[6])(C[6]C[6a]C[6]H)(NOO){2|C<4>,4|C<3>}	N[6,6](C[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.4250	0.000	1	119.4250	0.000	1	119.4250	0.000	1	119.4250	0.000	1	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:2:1:	3:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(H){1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,3|C<3>,4|H<1>}	118.0110	0.000	1	118.0110	0.000	1	118.0110	0.000	1	118.0110	0.000	1	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:2:1:	3:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]H){1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|N<2>,3|C<3>,3|H<1>}	118.8380	0.098	2	118.8380	0.010	2	118.8380	0.010	2	118.8380	0.010	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:2:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-2:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6])(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	116.7735	0.050	2	116.7735	0.003	2	116.7735	0.003	2	116.7735	0.003	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:2:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-2:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6])(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6])(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	116.9965	0.482	2	116.9965	0.232	2	116.9965	0.232	2	116.9965	0.232	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:2:2:	3:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-2:C-2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CN)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CN){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	117.9250	0.000	1	117.9250	0.000	1	117.9250	0.000	1	117.9250	0.000	1	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:2:2:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-2:C-2:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CN)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CN){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	116.4150	0.253	2	116.4150	0.064	2	116.4150	0.064	2	116.4150	0.064	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:2:3:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-2:C-3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CCO)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CCO){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	116.2780	0.000	1	116.2780	0.000	1	115.9685	0.192	2	115.9685	0.192	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:2:3:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-2:C-3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(COO)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(COO){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	115.6590	0.000	1	115.6590	0.000	1	115.9685	0.192	2	115.9685	0.192	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:2:4:	3:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-2:C-4:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(CH3)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C){1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(CH3){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	118.9695	0.121	2	118.9695	0.015	2	118.9695	0.015	2	118.9695	0.015	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:2:4:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-2:C-4:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CH3)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CH3){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	117.8020	0.000	1	117.8020	0.000	1	117.8020	0.000	1	117.8020	0.000	1	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6a]C[5a,6a]C[6,6a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[5a,6a]C[6,6a])(N[6,6]C[6]2)(C[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	117.8740	0.000	1	117.8740	0.000	1	117.8740	0.000	1	118.8548	2.499	5	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){1|F<1>,2|H<1>,5|C<3>}	117.8580	0.000	1	117.8580	0.000	1	117.8580	0.000	1	118.8548	2.499	5	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	121.4960	0.000	1	121.4960	0.000	1	119.6845	6.563	2	118.8548	2.499	5	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H){2|H<1>,6|C<3>}	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	117.8730	0.000	1	117.8730	0.000	1	119.6845	6.563	2	118.8548	2.499	5	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,3|C<3>,4|H<1>}	119.1730	0.000	1	119.1730	0.000	1	119.1730	0.000	1	118.8548	2.499	5	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:N[6,6]-3:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2)	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	117.6301	0.469	9	117.6301	0.220	9	117.6301	0.220	9	119.6893	1.279	65	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6]N[6,6]C[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]N[6,6]FF)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6,6]H){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]N[6,6]FF){2|H<1>,6|C<3>}	120.3750	0.000	1	120.3750	0.000	1	120.3750	0.000	1	119.6893	1.279	65	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6,6a]H)(H){1|B<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	120.2840	0.000	1	120.2840	0.000	1	119.5810	0.401	4	119.6893	1.279	65	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]O[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]O[6])(H){1|B<4>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	119.3467	0.522	3	119.3467	0.273	3	119.5810	0.401	4	119.6893	1.279	65	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|F<1>,4|C<3>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6,6a]H)(H){1|B<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	119.1495	0.021	2	119.1495	0.000	2	119.1495	0.000	2	119.6893	1.279	65	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:B[6]-4:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(H)	N[6,6](C[6,6]C[6]2)(C[6]N[6,6]H)(B[6]O[6]FF)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])2(H){2|B<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6]2)(C[6]N[6,6]H)(B[6]O[6]FF){1|B<4>,2|C<3>,2|H<1>}	117.8060	0.000	1	117.8060	0.000	1	117.8060	0.000	1	119.6893	1.279	65	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:B[6]-4:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	N[6,6](C[6,6]C[6]2)(C[6]N[6,6]H)(B[6]O[6]FF)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]2)(C[6]N[6,6]H)(B[6]O[6]FF){1|B<4>,2|C<3>,2|H<1>}	117.2640	0.000	1	117.2640	0.000	1	117.2640	0.000	1	119.6893	1.279	65	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H){1|B<4>,1|C<2>,1|N<2>,2|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	121.7010	0.000	1	121.7010	0.000	1	120.1929	0.398	47	119.6893	1.279	65	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C){1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|C<4>,1|N<2>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	120.4910	0.355	2	120.4910	0.126	2	120.1929	0.398	47	119.6893	1.279	65	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]H){1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|N<2>,3|C<3>,3|H<1>}	121.4335	0.062	2	121.4335	0.004	2	120.1929	0.398	47	119.6893	1.279	65	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]C)(H)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]C)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	120.4457	0.355	14	120.4457	0.126	14	120.1929	0.398	47	119.6893	1.279	65	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2{1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){3|H<1>,4|C<3>}	120.3560	0.122	6	120.3560	0.015	6	120.1929	0.398	47	119.6893	1.279	65	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2{1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){3|H<1>,4|C<3>}	120.4617	0.223	6	120.4617	0.050	6	120.1929	0.398	47	119.6893	1.279	65	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	119.5127	0.338	14	119.5127	0.114	14	120.1929	0.398	47	119.6893	1.279	65	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6a]N[6])(C[6]C[6]H){1|O<2>,2|F<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|N<2>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|N<2>,2|H<1>,4|C<3>}	119.5950	0.721	2	119.5950	0.520	2	120.1929	0.398	47	119.6893	1.279	65	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	119.5780	0.000	1	119.5780	0.000	1	119.5780	0.000	1	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2){1|N<3>,2|C<3>,2|N<2>,4|H<1>}	119.5180	0.000	1	119.5180	0.000	1	119.5180	0.000	1	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	119.9760	0.000	1	119.3933	0.318	3	119.1075	0.829	25	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	119.1020	0.356	2	119.3933	0.318	3	119.1075	0.829	25	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	119.1185	0.985	20	119.0685	0.904	22	119.1075	0.829	25	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.5695	0.045	2	119.0685	0.904	22	119.1075	0.829	25	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6])2(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]N[6,6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])2(H){2|B<4>,5|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]N[6,6]H){1|B<4>,1|C<4>,2|H<1>,7|C<3>}	119.0625	3.644	2	119.0625	13.277	2	119.0625	13.277	2	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[6,6a]C[5a,6,6a]C[5a,6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]C)	C[6,6](C[6,6a]C[5a,6,6a]C[5a,6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]C){2|H<1>,4|C<3>}	119.3240	0.000	1	119.3240	0.000	1	118.9321	0.700	14	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	119.3410	0.000	1	119.3410	0.000	1	118.9321	0.700	14	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,1|F<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){2|H<1>,3|C<3>}	119.4570	0.000	1	119.4570	0.000	1	118.9321	0.700	14	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){2|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	118.5030	0.000	1	118.5030	0.000	1	118.9321	0.700	14	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|F<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	118.9510	0.000	1	118.9510	0.000	1	118.9321	0.700	14	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|I<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	118.7510	0.000	1	118.7510	0.000	1	118.9321	0.700	14	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){4|H<1>,7|C<3>}	118.9827	0.094	3	118.9827	0.009	3	118.9321	0.700	14	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,1|F<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]C){2|H<1>,3|C<3>}	119.0950	0.000	1	119.0950	0.000	1	118.9321	0.700	14	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|C<4>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	118.5290	0.000	1	118.6475	0.028	2	118.9321	0.700	14	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){2|H<1>,3|C<3>}	118.7660	0.000	1	118.6475	0.028	2	118.9321	0.700	14	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]O[6])(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]O[6])(H){1|B<4>,5|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	116.7020	0.000	1	116.7020	0.000	1	118.9321	0.700	14	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){1|N<2>,4|H<1>,6|C<3>}	120.6830	0.000	1	120.6830	0.000	1	118.9321	0.700	14	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	118.0053	0.558	7	118.1048	0.197	12	118.2081	0.258	18	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	118.2440	0.180	5	118.1048	0.197	12	118.2081	0.258	18	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C){3|C<3>,4|H<1>}	118.9360	0.141	3	118.9360	0.020	3	118.2081	0.258	18	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	118.0540	0.093	2	118.0540	0.009	2	118.2081	0.258	18	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	117.5720	0.000	1	117.5720	0.000	1	118.2081	0.258	18	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:B[3x6]-4:C[6,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[3x6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[3x6])(C[6]C[6]H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6,6a]H)(H){1|B<4>,1|N<3>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6]){1|N<3>,4|C<3>,5|C<4>,5|H<1>}	120.0050	0.000	1	120.0050	0.000	1	120.0050	0.000	1	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]N[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]C[6,6]B[6])(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6,6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]N[6,6]H){1|B<4>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]C[6,6]B[6])(H){1|B<4>,1|C<4>,6|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	118.2740	1.526	4	118.2740	2.330	4	118.2740	2.330	4	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[6])(C[6]C[6]H)	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[6])(C[6]C[6]H){1|N<2>,2|H<1>,6|C<3>}	122.2080	0.000	1	122.2080	0.000	1	122.2080	0.000	1	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:H-1:	C[6,6a]-3:B[6]-4:C[6,6]-3:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[5,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	120.9640	0.000	1	120.9640	0.000	1	120.9640	0.000	1	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6a]-3:B[6]-4:C[6,6]-3:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])2(H){1|B<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	120.5950	0.091	2	120.5950	0.008	2	120.5950	0.008	2	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|C<3>,1|H<1>,1|N<2>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	120.0395	0.291	2	119.3900	0.393	5	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	119.1570	0.000	1	119.3900	0.393	5	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	118.8570	0.143	2	119.3900	0.393	5	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.1770	0.116	2	120.1770	0.013	2	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]O)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]O){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	120.6800	0.000	1	120.6800	0.000	1	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H){2|C<3>,4|H<1>}	118.4990	0.000	1	118.4990	0.000	1	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	119.4780	0.000	1	119.4780	0.000	1	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,3|H<1>}	118.5593	0.452	6	118.5593	0.204	6	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H){1|B<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H){2|C<3>,4|H<1>}	119.8590	0.000	1	119.8590	0.000	1	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H){1|B<4>,1|H<1>,5|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	118.0760	0.000	1	118.0760	0.000	1	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,3|H<1>}	118.2568	0.289	6	118.2568	0.084	6	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){2|C<3>,2|H<1>}	119.0420	0.116	4	119.0420	0.013	4	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){2|C<3>,2|H<1>}	117.5280	0.310	4	117.5280	0.096	4	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	118.2013	0.324	3	118.2013	0.105	3	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	117.5590	0.000	1	117.5590	0.000	1	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,3|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	116.4440	0.000	1	116.4440	0.000	1	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H){1|B<4>,3|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	117.8660	0.000	1	117.8660	0.000	1	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,2|F<1>,2|O<2>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H){1|B<4>,3|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	116.8900	0.000	1	116.8900	0.000	1	118.5753	0.904	39	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:B[6]-4:C[6,6]-3:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[5,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	120.2270	0.000	1	120.2270	0.000	1	119.8633	0.122	3	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:B[6]-4:C[6,6]-3:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	119.6815	0.216	2	119.6815	0.047	2	119.8633	0.122	3	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:O-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]O)	C[6](C[6,6]N[6,6]C[6])(N[6]O[6]C)(O)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]O){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6]O[6]C)(O){1|B<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	119.4840	0.000	1	119.4840	0.000	1	119.4840	0.000	1	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.2360	0.000	1	118.2360	0.000	1	118.2760	0.003	2	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.3160	0.000	1	118.3160	0.000	1	118.2760	0.003	2	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Br-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br)	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]H)(Br)	N[6,6](C[6,6]C[6]N[6])(B[6]C[6,6a]OO)(C[6]N[6]O)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]H)(Br){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(B[6]C[6,6a]OO)(C[6]N[6]O){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	118.5490	0.000	1	118.5490	0.000	1	118.5490	0.000	1	118.8257	1.131	116	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:	B[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6])2(H)	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]N[6,6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]C[6,6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]N[6,6])2(H){2|B<4>,5|C<3>}	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]N[6,6]H){1|B<4>,3|C<3>,4|H<1>,5|C<4>}	118.1492	0.440	4	118.1492	0.193	4	118.1492	0.193	4	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){3|H<1>,9|C<3>}	118.5900	0.075	2	118.5900	0.006	2	119.0277	0.422	4	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](B[5,6]C[5,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](B[5,6]C[5,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	118.9690	0.000	1	118.9690	0.000	1	119.0277	0.422	4	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	119.9620	0.000	1	119.9620	0.000	1	119.0277	0.422	4	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	N[6,6](B[6,6]C[6,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(C[6]C[6]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](B[6,6]C[6,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	118.4785	0.173	2	118.4785	0.030	2	118.4785	0.030	2	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:H-1:	B[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]N[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]B[3x6]C[6,6])(H)	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]N[6,6]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]B[3x6]C[6,6])(H){1|B<4>,3|C<4>,4|C<3>}	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	118.2410	0.000	1	118.2410	0.000	1	118.2410	0.000	1	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	117.3450	0.286	4	117.3450	0.082	4	117.3450	0.082	4	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:O-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]N[6]O)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6a]C[6])(O)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]N[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	118.7680	0.000	1	118.7680	0.000	1	118.7680	0.000	1	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:N[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]N[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	120.6150	0.000	1	120.6150	0.000	1	120.6150	0.000	1	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	118.8500	0.000	1	118.7525	0.019	2	118.7680	0.010	3	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	118.6550	0.000	1	118.7525	0.019	2	118.7680	0.010	3	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6,6]N[6,6]C[6])(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	118.7990	0.000	1	118.7990	0.000	1	118.7680	0.010	3	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6]N[6,6]C[6])(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	119.3160	0.000	1	119.3160	0.000	1	119.3160	0.000	1	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[3x6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[3x6]C[6])(C[6]C[6]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|C<3>,4|C<4>,5|H<1>}	119.1680	0.000	1	119.1680	0.000	1	118.7315	0.381	2	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[3x6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[3x6]C[6])(C[6]C[6]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|C<3>,4|C<4>,5|H<1>}	118.2950	0.000	1	118.2950	0.000	1	118.7315	0.381	2	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[5a,6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,3|O<2>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	117.5137	0.324	3	117.5137	0.105	3	117.5137	0.105	3	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6,6a]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,3|O<2>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	117.9493	0.267	3	117.9493	0.071	3	117.9493	0.071	3	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	119.6803	0.386	4	119.6803	0.149	4	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,1|C<2>,2|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	117.3700	1.294	2	117.3700	1.674	2	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]H)(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|F<1>,2|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]H)(H){1|B<4>,1|C<2>,2|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N){1|C<2>,1|H<1>,3|C<3>}	120.3770	0.000	1	120.3770	0.000	1	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]H)(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]H)(H){1|B<4>,1|C<2>,2|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O){1|C<2>,1|H<1>,3|C<3>}	117.1860	0.000	1	117.1860	0.000	1	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|F<1>,2|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H){1|B<4>,1|C<2>,2|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	118.1660	0.000	1	118.1660	0.000	1	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H){1|B<4>,1|C<2>,2|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	117.7670	0.000	1	117.7670	0.000	1	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	118.9770	0.000	1	119.4407	0.203	3	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	119.6725	0.289	2	119.4407	0.203	3	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	118.9730	0.082	2	118.9730	0.007	2	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	117.9232	0.369	4	117.9232	0.136	4	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,1|C<2>,2|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	116.6830	0.000	1	116.6830	0.000	1	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,2|F<1>,2|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H){1|B<4>,1|C<2>,2|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	118.4740	0.000	1	118.4740	0.000	1	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H){1|B<4>,1|C<2>,2|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	117.2195	0.094	2	117.2195	0.009	2	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	118.4690	0.000	1	118.4690	0.000	1	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	119.8770	0.218	2	119.8770	0.047	2	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,6|C<3>}	118.5360	0.000	1	118.5283	0.003	3	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,6|C<3>}	118.5245	0.081	2	118.5283	0.003	3	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){3|H<1>,6|C<3>}	118.9280	0.000	1	118.9280	0.000	1	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H){1|B<4>,2|H<1>,4|C<3>}	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,6|C<3>}	119.6235	0.097	2	119.6235	0.009	2	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]N[6]H){2|H<1>,6|C<3>}	118.8580	0.675	5	118.8580	0.456	5	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]C)(H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]C)(H){1|B<4>,2|C<3>,2|H<1>}	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,6|C<3>}	119.1630	0.000	1	119.1630	0.000	1	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,1|H<1>,2|C<3>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]N[6]H){2|H<1>,6|C<3>}	117.6922	0.254	5	117.6922	0.065	5	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){3|H<1>,6|C<3>}	118.0350	0.000	1	118.0350	0.000	1	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,8|C<3>}	118.0880	0.000	1	118.0880	0.000	1	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,7|C<3>}	117.3180	0.000	1	117.3180	0.000	1	118.5185	0.950	46	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	118.3330	0.000	1	118.3330	0.000	1	119.3895	2.232	2	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6])(H)	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	120.4460	0.000	1	120.4460	0.000	1	119.3895	2.232	2	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](Ge[6]Ge[6]N[6]Fe)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Fe<5>,1|Ge<3>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ge<4>,1|Si<4>,1|H<1>,2|C<3>}	N[6,6](Ge[6]Ge[6]N[6]Fe)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>,2|N<3>}	118.3720	0.000	1	118.3720	0.000	1	117.6175	0.406	4	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](Ge[6]N[6]BH)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ge<4>,1|Si<4>,1|H<1>,2|C<3>}	N[6,6](Ge[6]N[6]BH)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	117.3940	0.000	1	117.3940	0.000	1	117.6175	0.406	4	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](Ge[6]N[6]ClB)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Cl<1>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ge<4>,1|Si<4>,1|H<1>,2|C<3>}	N[6,6](Ge[6]N[6]ClB)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	116.8730	0.000	1	116.8730	0.000	1	117.6175	0.406	4	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](Ge[6]N[6]ClCu)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Cl<1>,1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ge<4>,1|Si<4>,1|H<1>,2|C<3>}	N[6,6](Ge[6]N[6]ClCu)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	117.8310	0.000	1	117.8310	0.000	1	117.6175	0.406	4	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	S[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6]S[6])(C[6]C[6a]O[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O)	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6a]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O){1|C<4>,1|N<2>,1|O<2>,1|S<4>,3|C<3>}	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	116.1490	0.000	1	116.1490	0.000	1	116.1490	0.000	1	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6,6a]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6,6](B[6]C[6,6a]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H){3|H<1>,7|C<3>}	120.7360	0.000	1	120.7360	0.000	1	120.5625	0.060	2	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(C[6]C[6]H){3|H<1>,5|C<3>}	120.3890	0.000	1	120.3890	0.000	1	120.5625	0.060	2	118.4585	1.013	84	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	6:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	Nb[6]-6:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]Nb[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](Nb[6]O[6]O4)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Nb[6]C[6])(C[6]C[6]H)2{1|C<3>,1|C<4>,2|H<1>,5|O<2>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Nb<6>,2|C<3>,2|H<1>}	N[6,6](Nb[6]O[6]O4)(C[6,6]C[6]2)(C[6]C[6]H){2|C<3>,3|H<1>}	119.8890	0.000	1	119.8890	0.000	1	120.3305	0.390	2	120.7788	0.398	4	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	6:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	Nb[6]-6:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]Nb[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	N[6,6](Nb[6]O[6]O4)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Nb[6]C[6])(C[6]C[6]H)2{1|C<3>,1|C<4>,2|H<1>,5|O<2>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|Nb<6>,1|H<1>,2|C<3>}	N[6,6](Nb[6]O[6]O4)(C[6,6]C[6]2)(C[6]C[6]H){2|C<3>,3|H<1>}	120.7720	0.000	1	120.7720	0.000	1	120.3305	0.390	2	120.7788	0.398	4	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	6:3:3:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	In[6]-6:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]In[6]C[6])(N[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](In[6]N[6,6]Cl3O)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](N[6,6]In[6]C[6])(N[6]C[6,6]H)(C[6]C[6]H){3|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|In<6>,2|C<3>,2|H<1>}	N[6,6](In[6]N[6,6]Cl3O)(C[6,6]C[6]N[6])(C[6]C[6]H){3|C<3>,3|H<1>}	121.2270	0.042	2	121.2270	0.002	2	121.2270	0.002	2	120.7788	0.398	4	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mn)(C[6]C[6]O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OMn)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mn)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OMn){1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.7280	0.000	1	118.7280	0.000	1	119.6068	0.385	4	119.6068	0.385	4	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(ONi)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(ONi){1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ni<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.8055	0.271	2	119.8055	0.073	2	119.6068	0.385	4	119.6068	0.385	4	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	3:3:3:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OZn)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OZn){1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	120.0880	0.000	1	120.0880	0.000	1	119.6068	0.385	4	119.6068	0.385	4	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	3:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6a]N[6])(C[6]C[6]H){1|O<2>,2|F<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|B<4>,3|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|N<2>,2|H<1>,4|C<3>}	118.8425	0.127	2	118.8425	0.016	2	118.8425	0.016	2	118.8425	0.016	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6])(CN)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6])(CN){1|C<2>,1|C<4>,5|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]N){2|C<2>,2|H<1>,3|C<3>}	119.4580	0.000	1	119.4580	0.000	1	119.4580	0.000	1	119.4580	0.000	1	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-2:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,5|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	117.9698	0.243	4	117.9698	0.059	4	118.0646	0.646	10	118.4700	0.695	21	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-2:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|F<1>}	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	118.2890	1.390	2	118.0020	0.760	4	118.0646	0.646	10	118.4700	0.695	21	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-2:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|F<1>}	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	117.8070	0.000	1	118.0020	0.760	4	118.0646	0.646	10	118.4700	0.695	21	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-2:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|F<1>,2|N<3>}	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	117.6230	0.000	1	118.0020	0.760	4	118.0646	0.646	10	118.4700	0.695	21	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-2:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|F<1>,2|N<3>}	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N){1|C<2>,1|H<1>,3|C<3>}	117.1330	0.000	1	117.1330	0.000	1	118.0646	0.646	10	118.4700	0.695	21	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-2:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|F<1>}	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O){1|C<2>,1|H<1>,3|C<3>}	119.6260	0.000	1	119.6260	0.000	1	118.0646	0.646	10	118.4700	0.695	21	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C-2:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(CN)	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,5|C<3>}	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	118.5265	0.334	2	118.5265	0.112	2	118.5265	0.112	2	118.4700	0.695	21	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C-2:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(CN)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])2(CN){1|B<4>,2|H<1>,4|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	119.3200	0.462	4	119.3200	0.213	4	118.7804	0.489	8	118.4700	0.695	21	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C-2:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(CN)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])2(CN){1|B<4>,2|H<1>,4|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	118.2500	0.239	2	118.2408	0.151	4	118.7804	0.489	8	118.4700	0.695	21	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C-2:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(CN)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,2|F<1>,2|N<3>}	C[6](C[6,6]N[6,6]C[6])2(CN){1|B<4>,2|H<1>,4|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	117.7870	0.000	1	118.2408	0.151	4	118.7804	0.489	8	118.4700	0.695	21	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C-2:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(CN)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])2(CN){1|B<4>,2|H<1>,4|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	118.6760	0.000	1	118.2408	0.151	4	118.7804	0.489	8	118.4700	0.695	21	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:2:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:O[6]-2:	S[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6]S[6])(C[6]C[6a]O[6])(C[6]C[6,6a]O)	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6a]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,1|S<4>,4|C<3>,4|H<1>}	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.9270	0.000	1	119.9270	0.000	1	119.9270	0.000	1	118.4700	0.695	21	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6,6a]C[6a])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6])(C[6a]C[6a]2)	N[6,6](C[6,6a]C[6,6a,6a]O[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[6,6](C[6,6a]C[6,6a,6a]O[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]){9|C<3>}	118.6920	0.000	1	118.6920	0.000	1	118.6920	0.000	1	119.7280	1.982	3	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:N-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](N[6,6]C[6]2)(N[6]C[6]Fe)(C[6]C[6]N)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(NFeC)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Fe)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(NFeC){1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	121.3310	0.000	1	121.3310	0.000	1	121.3310	0.000	1	119.7280	1.982	3	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	N[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(C[6]C[6]O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OCu2)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OCu2){1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cu<5>,1|C<4>,1|H<1>,1|O<3>,2|C<3>}	119.1610	0.000	1	119.1610	0.000	1	119.1610	0.000	1	119.7280	1.982	3	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:N-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6]2)(C[6]C[6]N)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(NHH)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6]2)(C[6]C[6]N){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	118.0350	0.000	1	118.0350	0.000	1	118.0350	0.000	1	118.4766	0.160	8	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	118.6347	0.258	3	118.6347	0.066	3	118.5397	0.150	7	118.4766	0.160	8	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	118.3400	0.000	1	118.3400	0.000	1	118.5397	0.150	7	118.4766	0.160	8	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	119.0400	0.000	1	118.5113	0.348	3	118.5397	0.150	7	118.4766	0.160	8	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	117.8750	0.000	1	118.5113	0.348	3	118.5397	0.150	7	118.4766	0.160	8	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,2|F<1>,2|O<2>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	118.6190	0.000	1	118.5113	0.348	3	118.5397	0.150	7	118.4766	0.160	8	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(C[6]C[6,6]2)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])2(C[6]C[6,6]2){1|B<4>,2|H<1>,2|N<3>,6|C<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	120.1375	0.276	4	120.1375	0.076	4	120.1375	0.076	4	119.3447	0.411	12	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:3:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	B[5a,6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,3|O<2>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	118.9720	0.199	3	118.9720	0.040	3	118.9720	0.040	3	119.3447	0.411	12	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:3:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	B[6,6a]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,3|O<2>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	118.8180	0.407	3	118.8180	0.166	3	118.8180	0.166	3	119.3447	0.411	12	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:3:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,8|C<3>}	119.1660	0.000	1	119.1660	0.000	1	119.1085	0.007	2	119.3447	0.411	12	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:3:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,7|C<3>}	119.0510	0.000	1	119.0510	0.000	1	119.1085	0.007	2	119.3447	0.411	12	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(CH3)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]C){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	119.0780	0.000	1	119.0780	0.000	1	119.0780	0.000	1	119.0780	0.000	1	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:4:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Si-4:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	N[6,6](Ge[6]Ge[6]N[6]Fe)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Fe<5>,1|Ge<3>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	N[6,6](Ge[6]Ge[6]N[6]Fe)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>,2|N<3>}	121.0160	0.000	1	121.0160	0.000	1	121.4458	0.129	4	121.4458	0.129	4	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:4:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Si-4:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	N[6,6](Ge[6]N[6]BH)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	N[6,6](Ge[6]N[6]BH)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	121.4020	0.000	1	121.4020	0.000	1	121.4458	0.129	4	121.4458	0.129	4	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:4:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Si-4:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	N[6,6](Ge[6]N[6]ClB)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Cl<1>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	N[6,6](Ge[6]N[6]ClB)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	121.4730	0.000	1	121.4730	0.000	1	121.4458	0.129	4	121.4458	0.129	4	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:4:	4:3:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Si-4:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	N[6,6](Ge[6]N[6]ClCu)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Cl<1>,1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	N[6,6](Ge[6]N[6]ClCu)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	121.8920	0.000	1	121.8920	0.000	1	121.4458	0.129	4	121.4458	0.129	4	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:4:2:	3:4:3:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6a]C[6]H)(CN)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6a]C[6]H)(CN){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]N){2|C<2>,2|C<4>,3|H<1>}	121.1580	0.000	1	121.1580	0.000	1	121.1580	0.000	1	121.1580	0.000	1	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:4:3:	3:3:4:	N[6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CHO)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CHO){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	122.4955	0.566	2	122.4955	0.321	2	122.4955	0.321	2	122.4955	0.321	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:4:3:	3:4:3:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	120.7180	0.000	1	120.7180	0.000	1	120.7180	0.000	1	120.7180	0.000	1	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:4:3:	4:3:3:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|H<1>,5|C<3>}	122.3420	0.130	2	122.3420	0.017	2	122.3420	0.017	2	122.3420	0.017	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	3:4:3:	4:3:4:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|N<3>,2|H<1>,3|C<4>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.6010	0.000	1	121.6010	0.000	1	121.6010	0.000	1	121.6010	0.000	1	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	4:3:1:	3:4:4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:S[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]N[6,6])(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(S[6]O[6]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[5,6]H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]N[6,6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,5|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(S[6]O[6]OO){1|C<4>,2|H<1>,3|C<3>}	119.2275	2.263	2	119.2275	5.123	2	119.2275	5.123	2	119.2275	5.123	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	4:3:2:	3:3:3:	N[6,6]-3:C[6]-3:N[6]-3:	C[6]-4:C[6,6]-3:C-2:	C[6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]N[6])(CN)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]N[6])(CN){1|H<1>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]){1|C<2>,2|C<4>,4|C<3>,4|H<1>}	120.3010	0.000	2	120.3010	0.000	2	120.3010	0.000	2	120.3010	0.000	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	4:3:3:	4:3:4:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O)	N[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	121.0330	0.000	1	121.0330	0.000	1	121.0635	0.162	4	121.0252	0.129	5	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	4:3:3:	4:3:4:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	120.8485	0.424	2	121.0737	0.242	3	121.0635	0.162	4	121.0252	0.129	5	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	4:3:3:	4:3:4:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	121.5240	0.000	1	121.0737	0.242	3	121.0635	0.162	4	121.0252	0.129	5	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:3:	4:3:3:	4:3:4:	N[6,6]-3:C[6]-3:N[6]-3:	C[6]-4:C[6,6]-3:C-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[5,6]C[6a]H)(C[6,6]N[6,6]N[6])(CC[6]O)	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6,6]N[6,6]N[6])(CC[6]O){2|C<3>,2|H<1>,4|C<4>}	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	120.8720	0.000	1	120.8720	0.000	1	120.8720	0.000	1	121.0252	0.129	5	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:3:4:	3:3:1:	4:3:3:	C[6]-3:N[6,6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	120.3500	0.000	1	120.3500	0.000	1	120.3500	0.000	1	120.3500	0.000	1	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	120.1095	0.642	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	O[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]O[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]O[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,3|C<4>,7|H<1>}	120.6760	0.000	1	120.6760	0.000	1	120.6760	0.000	1	120.1095	0.642	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	120.0205	0.211	4	120.0782	0.038	6	120.0814	0.031	7	120.2212	0.183	8	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	120.2790	0.000	1	120.0782	0.038	6	120.0814	0.031	7	120.2212	0.183	8	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	120.1080	0.000	1	120.0782	0.038	6	120.0814	0.031	7	120.2212	0.183	8	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<8>,1|C<3>,1|O<2>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,4|H<1>}	120.1010	0.000	1	120.1010	0.000	1	120.0814	0.031	7	120.2212	0.183	8	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	3:4:3:	N[6,6]-3:N[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,4|C<4>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	121.2000	0.000	1	121.2000	0.000	1	121.2000	0.000	1	120.2212	0.183	8	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	120.1335	0.484	2	120.2197	0.140	3	120.2197	0.140	3	119.9926	0.191	5	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	120.3920	0.000	1	120.2197	0.140	3	120.2197	0.140	3	119.9926	0.191	5	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	Ga[6]-4:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ga<4>,2|C<3>,3|H<1>}	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	119.6520	0.314	2	119.6520	0.099	2	119.6520	0.099	2	119.9926	0.191	5	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	5:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	Ga[6]-5:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](Ga[6]N[6,6]N[6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ga<5>,2|C<3>,3|H<1>}	N[6,6](Ga[6]N[6,6]N[6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,5|C<3>}	120.8090	0.339	2	120.8090	0.115	2	120.8090	0.115	2	120.8090	0.115	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	3:4:3:	3:3:1:	6:3:3:	N[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	In[6]-6:C[6,6]-3:C[6]-3:	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](In[6]N[6,6]O[5]Cl3)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){3|Cl<1>,1|N<3>,1|O<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|In<6>,2|C<3>,3|H<1>}	N[6,6](In[6]N[6,6]O[5]Cl3)(C[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	121.1340	0.140	2	121.1340	0.020	2	121.1340	0.020	2	121.1340	0.020	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	4:3:3:	3:3:1:	3:3:3:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	118.8110	0.000	1	118.6020	0.087	2	118.6020	0.087	2	118.6020	0.087	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	4:3:3:	3:3:1:	3:3:3:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	118.3930	0.000	1	118.6020	0.087	2	118.6020	0.087	2	118.6020	0.087	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	4:3:3:	3:3:1:	3:4:3:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,7|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	118.5850	0.276	2	118.5850	0.076	2	119.0735	0.417	4	119.0735	0.417	4	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	4:3:3:	3:3:1:	3:4:3:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]S)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,7|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]S){1|C<3>,3|C<4>,4|H<1>}	119.8930	0.000	1	119.8930	0.000	1	119.0735	0.417	4	119.0735	0.417	4	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	4:3:3:	3:3:1:	3:4:3:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6]Rh)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]Rh)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]Rh)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|Rh<9>,1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]Rh)(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	119.2310	0.000	1	119.2310	0.000	1	119.0735	0.417	4	119.0735	0.417	4	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6,6]	C[6]	N[6,6]	4:3:3:	3:3:1:	4:3:3:	C[6]-4:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	119.0140	0.195	2	119.0140	0.038	2	119.0140	0.038	2	119.0140	0.038	2	119.0607	1.727	435	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[3x6]	N[6]	3:3:1:	4:3:3:	3:3:1:	C[3x6]-3:N[6]-3:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	N[6](C[6]C[6a]C[6])(C[6]C[3x6]H)(H)	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|C<3>,3|C<4>,6|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.2006	0.249	7	120.2006	0.062	7	120.2006	0.062	7	120.2006	0.062	7	119.5512	3.426	8	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[3x6]	N[6]	3:3:2:	4:3:3:	4:3:4:	C[3x6]-3:N[6]-3:N-2:	C[4x6]-4:C[6,6]-3:C[6]-3:	Si[4,6]-4:C[6]-3:C-4:	C[6](C[3x6]C[4x6]C[6,6])(N[6]Si[4,6]C)(NC)	C[3x6](C[4x6]Si[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[6]N[6]N)	N[6](Si[4,6]Si[4,3x6]C[6a]O[4])(C[6]C[3x6]N)(CC3)	C[6](C[3x6]C[4x6]C[6,6])(N[6]Si[4,6]C)(NC){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[4x6]Si[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[6]N[6]N){1|Si<5>,2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	N[6](Si[4,6]Si[4,3x6]C[6a]O[4])(C[6]C[3x6]N)(CC3){1|Si<4>,1|Si<5>,1|C<4>,3|C<3>}	115.0060	0.000	1	115.0060	0.000	1	115.0060	0.000	1	115.0060	0.000	1	119.5512	3.426	8	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6,6]	3:3:1:	3:3:3:	3:4:3:	C[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]C[6,6]B[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]N[6,6]H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]C[6,6]B[6])(H){1|B<4>,1|C<4>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]N[6,6]H){1|B<4>,1|C<4>,2|H<1>,5|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	123.7405	0.326	4	123.7405	0.106	4	123.7405	0.106	4	123.7405	0.106	4	123.9750	0.310	6	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	B[3x6]-4:C[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]B[3x6]C[6,6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]N[6,6]H)	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]B[3x6]C[6,6])(H){1|B<4>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]N[6,6]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	123.9100	0.000	1	123.9100	0.000	1	123.9100	0.000	1	123.9100	0.000	1	123.9750	0.310	6	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6,6]	3:3:1:	4:3:3:	4:3:4:	C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]H)(C[6]O[6]O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]H)(C[6]O[6]O){1|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	124.9780	0.000	1	124.9780	0.000	1	124.9780	0.000	1	124.9780	0.000	1	123.9750	0.310	6	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	3:3:3:	3:2:4:	C[6,6]-3:N[6]-3:O-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]N[6,6]C[6])(N[6]O[6]C)(O)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]O)	N[6](C[6]C[6,6]O)(O[6]B[6])(CH3)	C[6](C[6,6]N[6,6]C[6])(N[6]O[6]C)(O){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]O){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]O)(O[6]B[6])(CH3){1|F<1>,1|N<3>,2|C<3>}	116.1050	0.000	1	116.1050	0.000	1	116.1050	0.000	1	116.1050	0.000	1	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	N[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	121.8410	0.000	1	121.8410	0.000	1	121.8410	0.000	1	121.8410	0.000	1	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:N[6]-3:O-1:	C[3x6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6]C[3x6]N[6])(N[6]C[6a]C[6])(O)	C[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6](C[6,6]C[3x6]N[6])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O){7|C<3>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	115.8650	0.000	1	115.8650	0.000	1	115.8650	0.000	1	116.2833	0.294	3	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:N[6]-3:O-1:	C[5,6]-3:C[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6]C[3x6]C[5,6])(N[6]C[6a]C[6])(O)	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6](C[6,6]C[3x6]C[5,6])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,5|C<3>}	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O){1|N<3>,8|C<3>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	116.8960	0.000	1	116.8960	0.000	1	116.8960	0.000	1	116.2833	0.294	3	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:N[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]N[6]O){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,5|C<3>}	116.0890	0.000	1	116.0890	0.000	1	116.0890	0.000	1	116.2833	0.294	3	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6]-3:N[6]-3:O-1:	C[6]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6,6]N[6,6]C[6])(N[6]C[6a]C[6])(O)	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]N[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	116.6300	0.000	1	116.6300	0.000	1	116.6300	0.000	1	116.6300	0.000	1	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){2|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	124.0910	0.000	1	124.0910	0.000	1	124.0910	0.000	1	124.0910	0.000	1	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	B[6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(N[6]B[6]C)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]N[6]H)	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]B[6]C)(H){1|C<2>,1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	122.1400	0.000	1	122.1400	0.000	1	122.1400	0.000	1	125.0184	1.341	9	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	125.1960	0.249	6	125.1960	0.062	6	125.3782	0.200	8	125.0184	1.341	9	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	125.9250	0.544	2	125.9250	0.296	2	125.3782	0.200	8	125.0184	1.341	9	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	3:4:3:	3:3:4:	C[6,6]-3:N[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	C[6,6](C[6,6]N[6]O[6])(C[6]C[6]CC)(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6]N[6]S)(CCHH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|N<3>,1|O<2>,1|S<1>,3|C<4>}	C[6,6](C[6,6]N[6]O[6])(C[6]C[6]CC)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6]N[6]S)(CCHH){1|C<3>,2|C<4>}	117.4550	0.000	1	117.4550	0.000	1	117.4550	0.000	1	117.4550	0.000	1	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	3:4:3:	3:4:1:	C[6,6]-3:N[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O){2|C<4>,6|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	118.3100	0.000	1	118.3100	0.000	1	118.3100	0.000	1	118.3100	0.000	1	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	3:4:3:	4:3:3:	C[6,6]-3:N[6]-3:H-1:	C[3x6]-3:C[6]-4:C[6]-3:	C[6]-4:B[5a]-3:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H)	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H)	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H){1|C<3>,2|C<4>,3|H<1>,3|N<3>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<4>}	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	122.6407	0.270	3	122.6407	0.073	3	122.6407	0.073	3	122.6407	0.073	3	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	4:3:3:	3:4:3:	C[6,6]-3:N[6]-3:O-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	116.8070	0.168	2	116.8070	0.028	2	116.8070	0.028	2	116.8070	0.028	2	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	4:3:3:	3:4:4:	C[6,6]-3:N[6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[3x6]C[6])(N[6]C[6]C)(H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[3x6]C[6])(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]H){2|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	125.4630	0.000	1	125.4630	0.000	1	125.4630	0.000	1	120.3560	26.474	4	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	4:3:3:	3:4:4:	C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:S-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]N[6]H)	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]N[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	124.1090	0.000	1	124.1090	0.000	1	124.1090	0.000	1	120.3560	26.474	4	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:1:	4:3:3:	3:4:4:	C[6,6]-3:N[6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]2)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6])(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3)	C[6](C[6,6]C[6,6]2)(N[6]C[6]C)(O){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6])(C[6]N[6]O){3|H<1>,6|C<4>}	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3){1|C<3>,2|C<4>}	115.9260	0.068	2	115.9260	0.005	2	115.9260	0.005	2	120.3560	26.474	4	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:N[6]-3:O-2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6])(N[6]C[6]H)(OCo)	C[6,6](C[6,6]N[6]2)(N[6]C[6]Co)(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]N[6])(N[6]C[6]H)(OCo){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6,6](C[6,6]N[6]2)(N[6]C[6]Co)(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	115.3420	0.000	1	115.3420	0.000	1	115.3420	0.000	1	115.3420	0.000	1	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:2:	3:3:3:	3:3:4:	C[6,6]-3:N[6]-3:O-2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]N[6])(N[6]C[6]C)(OCu)	C[6,6](C[6,6]N[6]2)(N[6]C[6]Cu)(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]N[6])(N[6]C[6]C)(OCu){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6,6](C[6,6]N[6]2)(N[6]C[6]Cu)(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	115.2375	0.265	2	115.2375	0.070	2	115.2375	0.070	2	115.2375	0.070	2	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6a]C[6a]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(N[6]C[6]C)	N[6](C[6]C[6,6]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6a]C[6a]2)(N[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(N[6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|N<3>,5|C<3>}	119.7940	0.000	1	119.7940	0.000	1	119.7940	0.000	1	119.7940	0.000	1	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:3:	3:3:4:	3:3:2:	C[6,6]-3:N[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:C[6a]-3:Ge[6]-2:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<2>,1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]){3|C<4>,6|C<3>}	124.1190	0.000	1	124.1190	0.000	1	124.1190	0.000	1	124.1190	0.000	1	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:N[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:C[6a]-3:Ge[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]Cl)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]Cl){3|C<4>,6|C<3>}	123.5140	0.000	1	123.5140	0.000	1	123.3980	0.010	3	123.3980	0.010	3	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:N[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:C[6a]-3:Ge[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]N)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){2|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]N){3|C<4>,6|C<3>}	123.3230	0.000	1	123.3230	0.000	1	123.3980	0.010	3	123.3980	0.010	3	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:N[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:C[6a]-3:Ge[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(Ge[6]N[6]O){3|C<4>,6|C<3>}	123.3570	0.000	1	123.3570	0.000	1	123.3980	0.010	3	123.3980	0.010	3	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:3:	4:3:3:	3:4:4:	C[6,6]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:S-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6])(C[6]O[6]O)	N[6](C[6]C[6,6]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6])(C[6]O[6]O){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	118.7230	0.000	1	118.7230	0.000	1	118.7230	0.000	1	118.7230	0.000	1	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:4:	3:3:2:	3:3:1:	C[6,6]-3:N[6]-3:C-4:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(N[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]N[6]C)(O[6]B[6])	N[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6])(N[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]N[6]C)(O[6]B[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	N[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	117.8320	0.000	1	117.8320	0.000	1	117.8320	0.000	1	117.7975	0.002	2	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:4:	3:3:2:	3:3:1:	C[6,6]-3:N[6]-3:C-4:	N[6,6]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(N[6]C[6]H)(CCCH)	C[6,6](N[6,6]C[5,6,6]C[6])(C[6]N[6]C)(N[6]C[6])	N[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]N[6,6]N[6])(N[6]C[6]H)(CCCH){1|C<3>,1|O<1>,2|C<4>}	C[6,6](N[6,6]C[5,6,6]C[6])(C[6]N[6]C)(N[6]C[6]){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	N[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	117.7630	0.000	1	117.7630	0.000	1	117.7630	0.000	1	117.7975	0.002	2	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6,6]	N[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6]-3:N[6]-3:C-4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6,6a]O)(C[6]N[6]C)	N[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[6,6](N[6,6]C[6]S[6])(C[6]C[6,6a]O)(C[6]N[6]C){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	N[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	120.6430	0.000	1	120.6430	0.000	1	120.6430	0.000	1	120.6430	0.000	1	120.6742	14.990	39	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[3x6]	3:3:1:	3:3:1:	3:3:3:	N[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:As[3x6]-3:C[6]-3:	C[6](N[3x6]As[3x6]C[3x6])(C[6]C[6]H)(H)	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H)	N[3x6](C[3x6]P[3x6]C[6])(As[3x6]N[3x6]2)(C[6]C[6]H)	C[6](N[3x6]As[3x6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>,2|N<3>}	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H){1|As<3>,1|C<3>,1|H<1>}	N[3x6](C[3x6]P[3x6]C[6])(As[3x6]N[3x6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	120.1827	0.339	3	120.1827	0.115	3	120.1827	0.115	3	120.1827	0.115	3	121.8719	6.033	11	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[3x6]	3:3:1:	3:3:1:	5:3:3:	N[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[3x6]-5:C[3x6]-3:C[6]-3:	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H)	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H)	N[3x6](Nb[3x6]N[6,6]2NO)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>}	N[3x6](Nb[3x6]N[6,6]2NO)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|Si<4>,1|C<3>,1|S<4>,2|H<1>,3|C<4>}	123.1480	0.000	1	123.1480	0.000	1	123.1480	0.000	1	123.1480	0.000	1	121.8719	6.033	11	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[3x6]	3:3:1:	3:3:1:	6:3:3:	N[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[3x6]-6:C[3x6]-3:C[6]-3:	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H)	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H)	N[3x6](Nb[3x6]N[6,6]2N[6]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,3|N<3>}	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	N[3x6](Nb[3x6]N[6,6]2N[6]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H){2|Si<4>,2|H<1>,3|C<3>,3|C<4>}	122.8340	0.000	1	122.8340	0.000	1	122.8340	0.000	1	122.8340	0.000	1	121.8719	6.033	11	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[3x6]	3:3:1:	3:3:1:	7:3:3:	N[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[3,3,3x6]-7:C[3x6]-3:C[6]-3:	C[6](N[3x6]Nb[3,3,3x6]C[3x6])(C[6]C[6]H)(H)	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H)	N[3x6](Nb[3,3,3x6]N[3,6,6]C[3,3]N[6,6]N[3]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[6](N[3x6]Nb[3,3,3x6]C[3x6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,2|C<4>,3|N<3>}	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>}	N[3x6](Nb[3,3,3x6]N[3,6,6]C[3,3]N[6,6]N[3]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	123.8178	0.402	4	123.8178	0.162	4	123.8178	0.162	4	123.8178	0.162	4	121.8719	6.033	11	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[3x6]	3:3:3:	3:3:1:	3:3:3:	N[3x6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Ge[3x6]-3:C[3x6]-3:C[6]-3:	C[6](N[3x6]Ge[3x6]C[3x6])(C[6]C[6]H)(CHP)	C[6](C[6]N[3x6]C)(C[6]C[6]H)(H)	N[3x6](Ge[3x6]C[4,6,6]N[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]C)	C[6](N[3x6]Ge[3x6]C[3x6])(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[3x6]C)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	N[3x6](Ge[3x6]C[4,6,6]N[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]C){1|Ge<3>,1|Si<4>,2|C<3>,2|P<4>,3|H<1>}	116.1480	0.000	1	116.1480	0.000	1	116.1480	0.000	1	116.1480	0.000	1	121.8719	6.033	11	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[3x6]	3:3:3:	4:3:3:	4:4:3:	N[3x6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[6](N[3x6]C[3x6]2)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]CH)(C[6]N[3x6]C)(COO)	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C)	C[6](N[3x6]C[3x6]2)(C[6]C[6]C)(COO){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]N[3x6]C)(COO){2|C<3>,2|C<4>}	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C){2|C<4>,2|H<1>,6|C<3>}	122.6420	0.000	1	122.6420	0.000	1	122.6420	0.000	1	122.6420	0.000	1	121.8719	6.033	11	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:2:1:	4:4:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:O[6]-2:O-1:	C[4x6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[4x6]C[6])(C[6]O[6]O)(O)	C[6](C[6]N[6,6]O)(O[6]C[3x6])(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[4x6]C[6])(C[6]O[6]O)(O){2|H<1>,4|C<4>}	C[6](C[6]N[6,6]O)(O[6]C[3x6])(O){4|C<4>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	118.0030	0.000	1	118.0030	0.000	1	118.0030	0.000	1	118.0030	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:2:4:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H)	C[6](C[6]N[6,6]H)(N[6]C[6])(CH3)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H){1|O<2>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(N[6]C[6])(CH3){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.4505	0.383	2	121.4505	0.146	2	121.4505	0.146	2	121.4505	0.146	2	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:2:4:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H)	C[6](C[6]N[6,6]H)(N[6]C[6])(CH3)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H){1|O<2>,4|C<3>}	C[6](C[6]N[6,6]H)(N[6]C[6])(CH3){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	122.1910	0.233	2	122.1910	0.054	2	122.1910	0.054	2	122.1910	0.054	2	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:2:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6]-3:O[6]-2:	C[6](N[6,6]C[6,6,6a]O[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](N[6,6]C[6,6,6a]O[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H){1|O<2>,2|C<3>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(O[6]B[6]){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	120.1120	0.000	1	120.1120	0.000	1	120.1120	0.000	1	120.1120	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]S[6])(C[6]C[6]H)	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]S[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	121.6660	0.000	1	121.6660	0.000	1	121.6660	0.000	1	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H){3|C<3>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	121.0250	0.000	1	121.0250	0.000	1	121.0250	0.000	1	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	120.8720	0.000	1	120.8720	0.000	1	120.8720	0.000	1	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	121.6460	0.000	1	121.6460	0.000	1	120.3654	1.795	11	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Cl<1>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.4700	0.000	1	121.4700	0.000	1	120.3654	1.795	11	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.3630	0.000	1	119.9492	0.402	5	120.3654	1.795	11	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ni<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.7550	0.822	2	119.9492	0.402	5	120.3654	1.795	11	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	120.5790	0.000	1	119.9492	0.402	5	120.3654	1.795	11	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|O<3>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cu<5>,1|C<4>,1|H<1>,1|O<3>,2|C<3>}	120.2940	0.000	1	119.9492	0.402	5	120.3654	1.795	11	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	118.8030	0.000	1	118.8030	0.000	1	120.3654	1.795	11	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	121.9700	1.100	2	121.9700	1.211	2	120.3654	1.795	11	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]N[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	118.4140	0.000	1	118.4140	0.000	1	120.3654	1.795	11	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:Ge[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]Cl)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]Cl)(C[6]C[6]H){2|H<1>,3|C<3>}	123.3450	0.361	2	123.3450	0.130	2	123.4167	0.080	3	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:Ge[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]N)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]N)(C[6]C[6]H){2|H<1>,3|C<3>}	123.5600	0.000	1	123.5600	0.000	1	123.4167	0.080	3	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){1|F<1>,2|H<1>,5|C<3>}	121.5430	0.000	1	121.5430	0.000	1	121.1740	0.272	2	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,3|C<3>,4|H<1>}	120.8050	0.000	1	120.8050	0.000	1	121.1740	0.272	2	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	122.6830	0.000	1	122.5200	0.053	2	122.5200	0.053	2	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	122.3570	0.000	1	122.5200	0.053	2	122.5200	0.053	2	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	O[6,6]-3:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]O[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]O[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,3|C<4>,7|H<1>}	120.8780	0.000	1	120.8780	0.000	1	120.8780	0.000	1	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:3:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]N[6,6]O)(C[6]N[6]C)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]O)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	114.2540	0.000	1	114.2540	0.000	1	114.2540	0.000	1	120.8849	4.125	23	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(Cl)	C[6](C[6]N[6,6]Cl)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[6](C[6]N[6,6]Cl)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl){2|H<1>,3|C<3>}	123.1360	0.000	1	123.1360	0.000	1	123.1360	0.000	1	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H){1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	122.6440	0.000	1	122.6440	0.000	1	122.3733	0.058	3	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	N[6,6](C[6,6]C[6,6a]N[6])(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]N[6])(B[6]O[6]FF)(C[6]C[6]H){1|H<1>,3|C<3>}	122.2380	0.083	2	122.2380	0.007	2	122.3733	0.058	3	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	N[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)(C[6]C[6]H){3|H<1>,4|C<3>}	120.6015	0.470	31	120.6015	0.221	31	120.6015	0.221	31	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6,6a]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]C[6a]2O[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H){1|B<4>,2|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]C[6a]2O[6])(C[6]C[6]H){1|H<1>,8|C<3>}	121.6840	0.000	1	121.6840	0.000	1	121.7120	0.002	2	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6,6a]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H){1|B<4>,2|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H){1|H<1>,4|C<3>}	121.7400	0.000	1	121.7400	0.000	1	121.7120	0.002	2	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H)	N[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H){1|C<4>,2|C<3>}	N[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	120.8965	0.257	2	120.8965	0.066	2	120.6904	1.509	8	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H){1|C<4>,2|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	120.6217	1.441	6	120.6217	2.077	6	120.6904	1.509	8	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|F<1>,1|O<2>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){2|H<1>,3|C<3>}	121.7190	0.000	1	121.7190	0.000	1	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	122.1230	0.000	1	122.1230	0.000	1	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	122.5380	0.000	1	122.5380	0.000	1	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	121.9940	0.000	1	121.9940	0.000	1	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|I<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	122.2810	0.000	1	122.2810	0.000	1	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){1|N<2>,4|H<1>,6|C<3>}	123.1160	0.000	1	123.1372	0.057	4	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){4|H<1>,7|C<3>}	123.1443	0.293	3	123.1372	0.057	4	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	122.3520	0.000	1	122.3520	0.000	1	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	120.8590	0.000	1	121.2875	0.367	2	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){2|H<1>,3|C<3>}	121.7160	0.000	1	121.2875	0.367	2	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H){2|C<3>,4|H<1>}	123.1620	0.000	1	123.1620	0.000	1	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	121.8450	0.205	2	122.0874	0.229	9	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.5340	0.000	1	122.0874	0.229	9	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	121.9325	0.022	2	122.0874	0.229	9	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	122.6893	0.113	3	122.0874	0.229	9	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	121.6300	0.000	1	122.0874	0.229	9	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	122.6198	0.329	6	122.6198	0.108	6	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	121.4180	0.000	1	121.4180	0.000	1	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,4|H<1>}	120.7830	0.000	1	121.9154	0.298	8	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,3|H<1>}	122.0232	0.316	6	121.9154	0.298	8	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	122.4010	0.000	1	121.9154	0.298	8	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	122.0900	0.119	5	122.0900	0.014	5	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	122.0260	0.000	1	121.5993	0.159	3	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|O<2>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){1|H<1>,1|O<2>,3|C<3>}	121.3860	0.212	2	121.5993	0.159	3	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	121.8400	0.000	1	121.8400	0.000	1	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,2|H<1>}	121.8986	0.603	5	121.8986	0.363	5	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[6])(C[6]C[6]H){1|N<2>,2|H<1>,6|C<3>}	122.5190	0.000	1	122.5190	0.000	1	122.1469	0.343	52	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	121.0890	0.000	1	120.9913	0.008	3	120.9652	1.107	47	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	120.9425	0.039	2	120.9913	0.008	3	120.9652	1.107	47	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	121.6106	0.284	7	121.3705	0.151	12	120.9652	1.107	47	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	121.0344	0.231	5	121.3705	0.151	12	120.9652	1.107	47	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	120.8462	1.443	20	120.8462	2.083	20	120.9652	1.107	47	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]Rh)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Rh<9>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]Rh)(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	121.0860	0.000	1	121.0860	0.000	1	120.9652	1.107	47	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	120.7453	0.444	3	120.7453	0.197	3	120.9652	1.107	47	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	118.8070	0.000	1	118.8070	0.000	1	120.9652	1.107	47	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.2490	0.000	1	121.3105	0.008	2	120.9652	1.107	47	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.3720	0.000	1	121.3105	0.008	2	120.9652	1.107	47	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.2830	0.000	1	121.5530	0.146	2	120.9652	1.107	47	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	121.8230	0.000	1	121.5530	0.146	2	120.9652	1.107	47	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H){2|H<1>,3|C<3>}	120.3640	0.290	2	120.3640	0.084	2	120.9652	1.107	47	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]N[6]H)(H)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<4>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	120.4360	0.000	1	120.4360	0.000	1	120.9652	1.107	47	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:S[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a]OO)(C[6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<4>}	N[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a]OO)(C[6]C[6]H){2|H<1>,3|C<3>}	121.2890	0.000	1	121.2890	0.000	1	121.2890	0.000	1	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(S)	C[6](C[6]N[6,6]S)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]S)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(S){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]S)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]S){1|C<3>,3|C<4>,4|H<1>}	116.4850	0.000	1	116.4850	0.000	1	116.4850	0.000	1	121.3194	1.218	146	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	123.1520	0.000	1	123.1520	0.000	1	122.5775	0.660	2	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	122.0030	0.000	1	122.0030	0.000	1	122.5775	0.660	2	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H){1|H<1>,6|C<3>}	119.2160	0.000	1	119.2160	0.000	1	119.2160	0.000	1	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3x6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]B[3x6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]B[3x6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|C<3>,4|C<4>,5|H<1>}	122.6670	0.000	1	122.6670	0.000	1	122.6670	0.000	1	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	122.8840	0.000	1	123.1937	0.168	3	122.8124	0.386	5	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){3|H<1>,9|C<3>}	123.3485	0.439	2	123.1937	0.168	3	122.8124	0.386	5	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[5,6]C[5,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[5,6]C[5,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	122.4820	0.000	1	122.4820	0.000	1	122.8124	0.386	5	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[5,6]C[6,6a]O[5]2)(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[5,6]C[6,6a]O[5]2)(C[6,6]C[6]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	121.9990	0.000	1	121.9990	0.000	1	122.8124	0.386	5	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5a,6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]B[5a,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]B[5a,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	122.6180	0.171	3	122.6180	0.029	3	122.6180	0.029	3	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6,6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]B[6,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6,6]C[6,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6](N[6,6]B[6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6,6]C[6,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	122.4040	0.528	2	122.4040	0.278	2	122.4040	0.278	2	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6,6a]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]B[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]B[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	122.1967	0.144	3	122.1967	0.021	3	122.1967	0.021	3	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6]C[6,6a]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6]C[6,6a]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H){3|H<1>,7|C<3>}	123.5070	0.000	1	123.5070	0.000	1	122.5258	0.227	29	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(C[6]C[6]H){3|H<1>,5|C<3>}	123.4260	0.000	1	123.4260	0.000	1	122.5258	0.227	29	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,8|C<3>}	123.4170	0.000	1	122.9087	0.128	4	122.5258	0.227	29	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,6|C<3>}	122.7393	0.138	3	122.9087	0.128	4	122.5258	0.227	29	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	122.6247	0.179	3	122.5368	0.040	5	122.5258	0.227	29	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,7|C<3>}	122.5410	0.000	1	122.5368	0.040	5	122.5258	0.227	29	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){3|H<1>,6|C<3>}	122.2690	0.000	1	122.5368	0.040	5	122.5258	0.227	29	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H){2|H<1>,7|C<3>}	122.9570	0.000	1	122.9570	0.000	1	122.5258	0.227	29	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	122.2507	0.631	4	122.2592	0.241	6	122.5258	0.227	29	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	122.2760	0.091	2	122.2592	0.241	6	122.5258	0.227	29	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	122.1175	0.202	2	122.1175	0.041	2	122.5258	0.227	29	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	122.4390	0.426	4	122.3611	0.128	9	122.5258	0.227	29	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	122.4313	0.168	4	122.3611	0.128	9	122.5258	0.227	29	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	121.7690	0.000	1	122.3611	0.128	9	122.5258	0.227	29	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6,6a]-3:C[6]-3:	C[6](N[6,6]C[6,6,6a]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H)	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[5,6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H){1|C<4>,2|C<3>}	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Se<2>,1|C<4>,2|H<1>,5|C<3>}	122.1400	0.000	1	122.1400	0.000	1	122.1400	0.000	1	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[5,6]N[5,6]N[5])(C[6]C[6]H)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[5,6]N[5,6]N[5])(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	120.4050	0.000	1	120.4050	0.000	1	120.4050	0.000	1	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	121.6860	0.000	1	121.6860	0.000	1	121.6860	0.000	1	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	122.1470	0.000	1	122.1470	0.000	1	121.9327	0.053	3	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	121.9620	0.000	1	121.9620	0.000	1	121.9327	0.053	3	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	121.6890	0.000	1	121.6890	0.000	1	121.9327	0.053	3	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	120.0555	0.248	2	120.0555	0.062	2	120.0555	0.062	2	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga[6,6]-4:C[6,6,6a]-3:C[6]-3:	C[6](N[6,6]C[6,6,6a]Ga[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H)	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]Ga[6,6])(C[6]C[6]H)(H){1|Cl<1>,1|Cl<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H){1|Ga<4>,2|C<3>}	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Ga<4>,1|H<1>,5|C<3>}	123.6740	0.327	2	123.6740	0.107	2	123.6740	0.107	2	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	121.1670	0.297	2	121.1670	0.088	2	121.1670	0.088	2	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](Ge[6]Ge[6]N[6]Fe)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Fe<5>,1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<4>,1|C<3>,1|H<1>}	N[6,6](Ge[6]Ge[6]N[6]Fe)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>,2|N<3>}	122.3120	0.000	1	122.3120	0.000	1	121.6885	0.745	4	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](Ge[6]N[6]BH)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<4>,1|C<3>,1|H<1>}	N[6,6](Ge[6]N[6]BH)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	122.1940	0.000	1	122.1940	0.000	1	121.6885	0.745	4	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](Ge[6]N[6]ClB)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Cl<1>,1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<4>,1|C<3>,1|H<1>}	N[6,6](Ge[6]N[6]ClB)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	121.8140	0.000	1	121.8140	0.000	1	121.6885	0.745	4	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](Ge[6]N[6]ClCu)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Cl<1>,1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<4>,1|C<3>,1|H<1>}	N[6,6](Ge[6]N[6]ClCu)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	120.4340	0.000	1	120.4340	0.000	1	121.6885	0.745	4	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:F-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]F)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]C)(F)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]F)(O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]C)(F){2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	114.3030	0.000	1	114.3030	0.000	1	114.3030	0.000	1	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6,6]O)(H)	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]N[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	116.9140	0.000	1	116.9140	0.000	1	116.9140	0.000	1	122.0530	2.156	64	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	121.7900	0.000	1	121.7900	0.000	1	121.7900	0.000	1	116.8284	7.586	7	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:4:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6a]O[6])(C[6]N[6,6]O)(H)	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]O[6])(C[6]N[6,6]O)(H){2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	113.7045	0.011	2	113.7045	0.000	2	115.3732	4.007	4	116.8284	7.586	7	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:4:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,5|H<1>}	116.3780	0.000	1	116.3780	0.000	1	115.3732	4.007	4	116.8284	7.586	7	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:4:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){3|C<4>,4|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	117.7060	0.000	1	117.7060	0.000	1	115.3732	4.007	4	116.8284	7.586	7	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:4:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:S[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6,6]O)(H)	N[6,6](C[6,6]C[6,6a]C[6]P)(S[6]O[6]OO)(C[6]C[6]O)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(O){1|C<4>,1|O<2>,1|P<4>,2|C<3>,2|O<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6,6]O)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]P)(S[6]O[6]OO)(C[6]C[6]O){3|C<3>,3|H<1>}	117.1180	0.000	1	117.1180	0.000	1	117.1180	0.000	1	116.8284	7.586	7	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:4:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[4x6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[3x6]I)(C[6]N[6,6]O)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]O)(O){1|C<3>,1|I<1>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]I)(C[6]N[6,6]O)(O){3|C<4>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	116.8284	7.586	7	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	5:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga[6]-5:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](Ga[6]N[6,6]N[6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	N[6,6](Ga[6]N[6,6]N[6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,5|C<3>}	122.6855	0.214	2	122.6855	0.046	2	122.6855	0.046	2	122.6855	0.046	2	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	6:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	In[6]-6:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](In[6]N[6,6]Cl3O)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H){3|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	N[6,6](In[6]N[6,6]Cl3O)(C[6,6]C[6]N[6])(C[6]C[6]H){3|C<3>,3|H<1>}	123.1495	0.431	2	123.1495	0.185	2	122.8708	0.168	4	122.9698	0.175	5	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	6:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	In[6]-6:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](In[6]N[6,6]O[5]Cl3)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	N[6,6](In[6]N[6,6]O[5]Cl3)(C[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	122.5920	0.096	2	122.5920	0.009	2	122.8708	0.168	4	122.9698	0.175	5	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	6:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[6]-6:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]Nb[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	N[6,6](Nb[6]O[6]O4)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Nb[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,5|O<2>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	N[6,6](Nb[6]O[6]O4)(C[6,6]C[6]2)(C[6]C[6]H){2|C<3>,3|H<1>}	123.3660	0.000	1	123.3660	0.000	1	123.3660	0.000	1	122.9698	0.175	5	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:2:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]O)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]H)(OC)	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]H)(OC){1|C<4>,1|N<3>,3|C<3>}	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	120.8180	0.000	1	120.8180	0.000	1	120.8180	0.000	1	120.8180	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:3:	4:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	B[6]-4:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6a]C[6])(H)	C[6](C[6]N[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|B<4>,3|C<3>,3|H<1>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	123.5040	0.000	1	123.5040	0.000	1	123.5040	0.000	1	123.5040	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:3:	4:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]O)(CCO)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]O)(CCO){2|C<4>,2|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,4|H<1>}	126.0180	0.544	2	126.0180	0.296	2	126.0180	0.296	2	126.0180	0.296	2	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:4:	3:3:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH){1|Cu<5>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cu<5>,1|C<4>,1|H<1>,1|O<3>,2|C<3>}	114.8290	0.000	1	114.8985	0.010	2	115.2955	0.228	4	115.2955	0.228	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:4:	3:3:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH){1|Mn<6>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	114.9680	0.000	1	114.8985	0.010	2	115.2955	0.228	4	115.2955	0.228	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:4:	3:3:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CH3)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CH3){1|Ni<5>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ni<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	115.6925	0.210	2	115.6925	0.044	2	115.2955	0.228	4	115.2955	0.228	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:4:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6,6]H)(CH3)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]N[6,6]H)(CH3){1|C<4>,2|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.7930	0.000	1	121.7930	0.000	1	121.7930	0.000	1	121.7632	0.568	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:4:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	122.8190	0.000	1	122.8190	0.000	1	122.8190	0.000	1	121.7632	0.568	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:3:4:	3:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.2205	0.023	2	121.2205	0.001	2	121.2205	0.001	2	121.7632	0.568	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:4:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:N[6,6]-3:C[6]-3:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]HH)(H)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	122.6150	0.000	1	122.6150	0.000	1	122.6150	0.000	1	122.5490	0.009	2	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:4:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]HH)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	122.4830	0.000	1	122.4830	0.000	1	122.4830	0.000	1	122.5490	0.009	2	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:4:3:	4:4:3:	N[6,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(Cl)	C[6](C[6]N[6,6]Cl)(C[6]C[6]HH)(CHO)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]Cl)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(Cl){3|C<4>,5|H<1>}	C[6](C[6]N[6,6]Cl)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]Cl){1|C<3>,4|C<4>,4|H<1>}	125.6610	0.000	1	125.6610	0.000	1	125.6610	0.000	1	123.0023	23.783	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:4:3:	4:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]CH)(COO)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]CH)(COO){2|C<4>,2|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	125.3205	0.556	2	125.3205	0.310	2	125.3205	0.310	2	123.0023	23.783	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	3:4:3:	4:4:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){3|C<4>,5|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	115.7070	0.000	1	115.7070	0.000	1	115.7070	0.000	1	123.0023	23.783	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	4:3:1:	3:3:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[5a,6,6]-3:C[6]-3:C[6]-3:	C[6](N[6,6]C[5a,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]H)(H)	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]H)(C[6]N[6]H)	C[6](N[6,6]C[5a,6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]H)(H){3|C<3>}	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.7410	0.000	1	119.7410	0.000	1	119.7410	0.000	1	119.7410	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	4:3:3:	4:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]H)(CHO)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]H)(CHO){1|H<1>,3|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	124.4645	0.281	2	124.4645	0.079	2	124.4645	0.079	2	124.4645	0.079	2	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:1:	4:3:4:	4:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]N[6,6]H)(CC[6a]HH)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]N[6,6]H)(CC[6a]HH){2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	124.1090	0.000	1	124.1090	0.000	1	124.1090	0.000	1	124.1090	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:2:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(OH)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	118.7820	2.315	2	118.7820	5.360	2	118.7820	5.360	2	118.7820	5.360	2	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:2:	3:3:2:	3:3:3:	N[6,6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[5,6,6]-3:C[6]-3:	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]C[6]C)(NH)	C[6](C[6]C[5,6]C[6a])(C[6]N[6,6]N)(CN)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]N)	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]C[6]C)(NH){5|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]N[6,6]N)(CN){5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]N){1|C<2>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	114.5463	0.190	3	114.5463	0.036	3	114.5463	0.036	3	114.5463	0.036	3	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:2:	3:3:2:	3:4:3:	N[6,6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NH)	C[6](C[6]C[6a]C[6])(C[6]N[6,6]N)(CN)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6,6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]N){2|C<2>,2|H<1>,3|C<3>}	114.4950	0.000	1	114.4950	0.000	1	114.4950	0.000	1	114.4950	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:2:	3:4:3:	4:4:3:	N[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(OC[6a])	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(OC[6a]){3|C<4>,5|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	124.5160	0.000	1	124.5160	0.000	1	124.5160	0.000	1	124.5160	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,6|C<3>}	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H){1|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H){1|N<3>,3|H<1>,6|C<3>}	118.5680	1.356	2	118.5680	1.839	2	118.5680	1.839	2	118.5680	1.839	2	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C){3|C<3>,4|H<1>}	118.0213	0.343	3	118.0213	0.118	3	118.0213	0.118	3	118.6611	0.666	7	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2){1|N<3>,2|C<3>,2|N<2>,4|H<1>}	119.7960	0.000	1	119.7960	0.000	1	119.7960	0.000	1	118.6611	0.666	7	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	118.6611	0.666	7	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]I)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(I)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(I){1|C<4>,1|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|C<3>}	119.6140	0.000	1	119.6140	0.000	1	119.6140	0.000	1	118.6611	0.666	7	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6]C[6]H)(C[6]C[6a]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6]C[6]H)(C[6]C[6a]C[6]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	118.9780	0.000	1	118.9780	0.000	1	118.9780	0.000	1	118.6611	0.666	7	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]N[6,6]C[6a])(C[6]N[6]O)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[6,6]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	119.0010	0.000	1	119.0010	0.000	1	119.0010	0.000	1	119.0010	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6,6]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	119.2840	0.000	1	119.0085	0.152	2	119.0085	0.152	2	118.9730	0.302	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6,6]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	118.7330	0.000	1	119.0085	0.152	2	119.0085	0.152	2	118.9730	0.302	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	119.5500	0.000	1	119.5500	0.000	1	119.5500	0.000	1	118.9730	0.302	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	N[6,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	N[6,6](C[6,6a]C[6,6a,6a]O[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[6,6](C[6,6a]C[6,6a,6a]O[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]){9|C<3>}	118.3250	0.000	1	118.3250	0.000	1	118.3250	0.000	1	118.9730	0.302	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]MnH)	C[6](C[6]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Mn<7>,2|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]MnH){1|C<4>,2|H<1>,5|C<3>}	119.7100	0.000	1	119.7100	0.000	1	119.7100	0.000	1	119.7100	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:4:1:	3:4:3:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CO)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CO)(H){1|C<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1	117.1160	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:4:1:	4:3:4:	C[6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6]N[6,6]C[6a])(C[6]C[6,6]HH)(H)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	C[6](C[6]N[6,6]C[6a])(C[6]C[6,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	121.6900	0.000	1	121.6900	0.000	1	121.6900	0.000	1	121.6900	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	3:4:3:	3:4:3:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CC)(CCO)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<2>,1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CC)(CCO){1|C<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	116.7250	0.000	1	116.7250	0.000	1	116.7250	0.000	1	116.7250	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	4:3:2:	3:4:3:	N[6,6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(CN)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]N){2|C<2>,2|C<4>,3|H<1>}	121.2390	0.000	1	121.2390	0.000	1	121.2390	0.000	1	121.2390	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	4:3:3:	3:4:3:	N[6,6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(COO)	N[6,6](C[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(COO){1|C<4>,1|N<3>,3|C<3>}	N[6,6](C[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0230	0.000	1	121.0230	0.000	1	121.0230	0.000	1	121.0230	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	4:3:3:	4:3:3:	N[6,6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]C)(COO)	C[6](C[5,6]C[5,6a]N[5,6]C[6a])(C[6]N[6,6]C)(COO)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]C)(COO){1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6]C[6a])(C[6]N[6,6]C)(COO){1|C<4>,1|S<4>,5|C<3>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	123.6770	0.000	1	123.6770	0.000	1	123.6770	0.000	1	122.5395	2.588	2	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:3:	4:3:3:	4:3:3:	N[6,6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]CH)(C[6]N[6,6]C)(COO)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]N[6,6]C)(COO){1|C<4>,3|C<3>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	121.4020	0.000	1	121.4020	0.000	1	121.4020	0.000	1	122.5395	2.588	2	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:4:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(CHHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C)(H)	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(CHHN){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	120.5290	0.000	1	120.5290	0.000	1	120.5290	0.000	1	119.7968	0.986	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:4:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]C)(H)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]C)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]H)(C[6]N[6,6]C)(H){1|C<4>,2|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	118.3350	0.000	1	118.3350	0.000	1	118.3350	0.000	1	119.7968	0.986	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:4:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]C)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]C){2|H<1>,4|C<3>}	120.2570	0.000	1	120.2570	0.000	1	120.1615	0.018	2	119.7968	0.986	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:4:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]C)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]C){2|H<1>,3|C<3>}	120.0660	0.000	1	120.0660	0.000	1	120.1615	0.018	2	119.7968	0.986	4	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:4:	3:3:1:	3:5:3:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:Nb[6,6]-5:C[6]-3:	C[6](N[6,6]C[6,6a]Nb[6,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6]C)(C[6]N[6]C)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(Nb[6,6]C[6]N[6]NO)(C[6]C[6]C)	C[6](N[6,6]C[6,6a]Nb[6,6])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]N[6,6]C)(C[6]N[6]C)(H){1|Nb<5>,2|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(Nb[6,6]C[6]N[6]NO)(C[6]C[6]C){2|C<4>,3|H<1>,4|C<3>}	122.6500	0.516	2	122.6500	0.266	2	122.6500	0.266	2	122.6500	0.266	2	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:4:	3:3:1:	5:4:3:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[3x6]-5:C[6]-4:C[6]-3:	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H)	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C)	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H){1|Ga<5>,1|C<4>}	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	122.5295	0.387	2	122.5295	0.150	2	122.5295	0.150	2	123.4965	0.905	6	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:4:	3:3:1:	5:4:3:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	In[3x6]-5:C[6]-4:C[6]-3:	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H)	N[6,6](In[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C)	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H){1|In<5>,1|C<4>}	N[6,6](In[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	123.9800	0.723	4	123.9800	0.523	4	123.9800	0.523	4	123.4965	0.905	6	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6,6]	3:3:4:	4:3:3:	4:4:3:	N[6,6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]C)(COO)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]C)(COO){2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	121.1570	0.000	1	121.1570	0.000	1	121.1570	0.000	1	121.1570	0.000	1	121.1809	4.355	317	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	2:3:3:	3:3:1:	3:3:1:	S-2:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](SB[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](SB[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	117.4370	0.000	1	117.4370	0.000	1	117.8040	0.107	3	117.8040	0.107	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	2:3:3:	3:3:1:	3:3:1:	S-2:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](SC[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](SC[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	117.9875	0.112	2	117.9875	0.013	2	117.8040	0.107	3	117.8040	0.107	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	2:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(H){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.9890	0.000	1	119.9890	0.000	1	119.9890	0.000	1	119.8520	0.038	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	2:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H)	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	119.7150	0.000	1	119.7150	0.000	1	119.7150	0.000	1	119.8520	0.038	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	2:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6](N[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH)	C[6](N[6]C[6,6a]C)(C[6]N[6]H)(H){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH){1|N<2>,2|C<3>,2|H<1>}	119.6910	0.000	1	119.6910	0.000	1	119.6910	0.000	1	119.5280	0.061	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	2:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]C[6a])(C[6]N[6]H)(H){4|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	119.4737	0.271	3	119.4737	0.073	3	119.4737	0.073	3	119.5280	0.061	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	2:3:3:	3:3:1:	N[6]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](N[6]C[6,6a])(C[6]N[6]H)(CNO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(H){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(CNO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	119.4710	0.000	1	119.4710	0.000	1	119.4710	0.000	1	115.5593	11.476	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	2:3:3:	3:3:1:	N[6]-3:C[6]-3:S-1:	N[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(S)	C[6](N[6]C[6,6a])(C[6]N[6]S)(NC[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(S){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]S)(NC[6]H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	113.5830	0.000	1	113.5830	0.000	1	113.6035	0.001	2	115.5593	11.476	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	2:3:3:	3:3:1:	N[6]-3:C[6]-3:S-1:	N[6]-2:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(S)	C[6](N[6]C[6,6a])(C[6]N[6]S)(NHN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(S){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]S)(NHN){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	113.6240	0.000	1	113.6240	0.000	1	113.6035	0.001	2	115.5593	11.476	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	2:3:3:	3:3:4:	N[6]-3:C[6]-3:H-1:	S[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(H)	C[6](S[6]C[6,6a])(C[6]N[6]H)(CC[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(H){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]H)(CC[6a]O){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|S<2>,3|C<3>}	127.1860	0.000	1	127.1860	0.000	1	127.1860	0.000	1	119.7328	4.761	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	2:3:3:	3:3:4:	N[6]-3:C[6]-3:O-1:	S[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	119.2760	0.912	11	119.2760	0.831	11	119.2359	0.869	15	119.7328	4.761	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	2:3:3:	3:3:4:	N[6]-3:C[6]-3:O-1:	S[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH)	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH){1|H<1>,1|S<2>,3|C<3>}	118.1700	0.000	1	118.1700	0.000	1	119.2359	0.869	15	119.7328	4.761	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	2:3:3:	3:3:4:	N[6]-3:C[6]-3:O-1:	S[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	119.7625	1.401	2	119.7625	1.962	2	119.2359	0.869	15	119.7328	4.761	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	2:3:3:	3:3:4:	N[6]-3:C[6]-3:O-1:	S[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	118.8080	0.000	1	118.8080	0.000	1	119.2359	0.869	15	119.7328	4.761	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6])(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	123.5500	0.000	1	123.5500	0.000	1	123.5500	0.000	1	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>}	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	119.6530	0.000	1	119.6530	0.000	1	121.0358	0.971	4	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	121.4967	0.426	3	121.4967	0.181	3	121.0358	0.971	4	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]Cl)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6])(Cl)	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]Cl)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|Cl<1>,1|H<1>,1|N<2>}	117.6470	0.000	1	117.6470	0.000	1	117.6470	0.000	1	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	118.1065	0.037	2	118.2343	0.050	3	119.1103	1.978	44	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>}	118.4900	0.000	1	118.2343	0.050	3	119.1103	1.978	44	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<2>,2|H<1>}	120.2613	0.834	6	119.6832	0.563	14	119.1103	1.978	44	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>}	119.2496	0.219	8	119.6832	0.563	14	119.1103	1.978	44	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|S<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|N<3>}	118.4850	0.000	1	118.9243	1.871	9	119.1103	1.978	44	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|S<2>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<2>}	119.0452	1.711	6	118.9243	1.871	9	119.1103	1.978	44	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|S<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|S<3>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<3>}	118.7815	0.129	2	118.9243	1.871	9	119.1103	1.978	44	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	117.1120	0.184	2	118.9037	3.218	18	119.1103	1.978	44	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|N<2>,2|H<1>}	119.0766	1.600	14	118.9037	3.218	18	119.1103	1.978	44	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	119.4850	3.725	2	118.9037	3.218	18	119.1103	1.978	44	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H){2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|N<2>,2|H<1>,2|N<3>}	119.3990	0.000	1	119.3990	0.000	1	119.0014	0.246	13	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|N<2>,2|H<1>}	118.8635	0.310	10	118.9682	0.253	12	119.0014	0.246	13	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|O<1>,1|S<4>}	N[6](C[6]C[6]H)2(O){1|H<1>,1|N<2>,1|S<4>}	120.2860	0.000	1	118.9682	0.253	12	119.0014	0.246	13	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Cl<1>,1|C<3>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|Cl<1>,1|H<1>,1|N<2>}	118.6980	0.000	1	118.9682	0.253	12	119.0014	0.246	13	119.2573	2.039	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]O[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(O[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]O[6]H)(N[6]C[6]C)(H){2|C<3>}	C[6](C[6]N[6]H)(O[6]C[6])(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|O<2>,2|H<1>}	120.1510	0.000	1	120.1510	0.000	1	120.5560	0.192	3	120.5560	0.192	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]O[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(O[6]C[6])(H)	N[6](C[6]C[6]H)2(COO)	C[6](C[6]O[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(O[6]C[6])(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(COO){1|O<2>,2|H<1>}	120.7585	0.373	2	120.7585	0.139	2	120.5560	0.192	3	120.5560	0.192	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<4>,1|H<1>}	120.3600	0.000	1	120.3600	0.000	1	120.3600	0.000	1	118.6012	4.200	30	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|N<2>,2|H<1>}	121.9330	0.298	2	121.9330	0.089	2	121.9330	0.089	2	118.6012	4.200	30	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(CCHH)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|S<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CCHH){1|N<2>,2|H<1>}	120.5850	0.000	1	120.5850	0.000	1	118.6999	0.898	22	118.6012	4.200	30	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|N<2>,2|H<1>}	118.9655	0.575	2	118.7920	0.129	6	118.6999	0.898	22	118.6012	4.200	30	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>}	118.7053	0.273	4	118.7920	0.129	6	118.6999	0.898	22	118.6012	4.200	30	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|N<2>,2|H<1>}	118.6935	1.066	11	118.5374	1.016	15	118.6999	0.898	22	118.6012	4.200	30	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	117.7933	0.570	3	118.5374	1.016	15	118.6999	0.898	22	118.6012	4.200	30	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<2>}	119.0530	0.000	1	118.5374	1.016	15	118.6999	0.898	22	118.6012	4.200	30	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(CCHH)	C[6](C[6]N[6]H)(N[6]C[6]C)(S){1|C<3>,1|H<1>}	C[6](C[6]N[6]S)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CCHH){1|N<2>,2|H<1>}	113.7890	0.000	1	113.7890	0.000	1	113.7903	0.031	3	118.6012	4.200	30	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(CH3)	C[6](C[6]N[6]H)(N[6]C[6]C)(S){2|C<3>}	C[6](C[6]N[6]S)(N[6]C[6])(H){1|C<4>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(CH3){1|H<1>,1|N<2>,3|C<3>}	113.7910	0.250	2	113.7910	0.063	2	113.7903	0.031	3	118.6012	4.200	30	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2(GaI3)	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(GaI3){1|N<2>,2|H<1>}	120.5210	0.689	2	120.5210	0.474	2	120.5210	0.474	2	118.6012	4.200	30	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	3:3:5:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:C-5:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)2(CFe3C)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(H){1|C<3>,1|C<5>,1|H<1>}	N[6](C[6]C[6]H)2(CFe3C){1|N<2>,2|H<1>}	119.5995	0.028	2	119.5995	0.001	2	119.5995	0.001	2	119.5995	0.001	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]O[6]H)(N[6]C[6]2)(H)	C[6](C[6]N[6]H)(O[6]C[6])(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]O[6]H)(N[6]C[6]2)(H){1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]N[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(C[6]N[6]2){1|O<2>,2|C<3>,3|H<1>}	109.8810	0.000	1	109.8810	0.000	1	109.8810	0.000	1	109.8810	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6])(O){1|H<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,1|N<2>,1|O<1>}	118.2860	0.000	1	118.2860	0.000	1	118.2860	0.000	1	116.9623	1.437	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H)	C[6](C[6]O[6]O)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]O)(O[6]C[6])(O){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H){1|O<2>,2|O<1>}	115.9500	0.000	1	115.9500	0.000	1	116.3005	0.246	2	116.9623	1.437	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]O[6]O)(N[6]C[6]C)(O){1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	116.6510	0.000	1	116.6510	0.000	1	116.3005	0.246	2	116.9623	1.437	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CCH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	119.0310	0.000	1	119.0310	0.000	1	117.8170	2.948	2	117.0452	6.570	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(COO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	116.6030	0.000	1	116.6030	0.000	1	117.8170	2.948	2	117.0452	6.570	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]N)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.4165	0.095	2	118.4165	0.009	2	118.4165	0.009	2	117.0452	6.570	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]N)(N[6]C[6]H)(S)	C[6](C[6]N[6]S)(N[6]C[6])(NC[6]H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]N)(N[6]C[6]H)(S){1|C<3>,1|H<1>}	C[6](C[6]N[6]S)(N[6]C[6])(NC[6]H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|N<3>}	112.7590	0.000	1	112.7590	0.000	1	112.7590	0.000	1	117.0452	6.570	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(COO)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<2>}	118.7430	0.000	1	118.7430	0.000	1	118.7430	0.000	1	119.5207	0.515	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|N<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	120.1240	0.000	1	120.1240	0.000	1	120.0800	0.110	5	119.5207	0.515	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|N<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	119.8860	0.000	2	119.8860	0.000	2	120.0800	0.110	5	119.5207	0.515	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|N<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	119.8620	0.000	1	120.2520	0.304	2	120.0800	0.110	5	119.5207	0.515	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	120.6420	0.000	1	120.2520	0.304	2	120.0800	0.110	5	119.5207	0.515	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]N)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[6]N)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	118.8477	0.274	3	118.8477	0.075	3	118.8477	0.075	3	119.5207	0.515	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<2>,2|C<4>}	119.1633	0.472	6	119.1633	0.222	6	119.1633	0.222	6	119.1633	0.222	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:4:	3:3:3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]N[6]C)(N[6]C[6]N)(O)	C[6](C[6]N[6]O)(N[6]N[6])(CC3)	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	C[6](C[6]N[6]C)(N[6]C[6]N)(O){1|N<3>,1|S<1>}	C[6](C[6]N[6]O)(N[6]N[6])(CC3){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<4>,1|H<1>,1|N<2>}	114.7090	0.000	1	114.7090	0.000	1	114.7090	0.000	1	114.7090	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]C[6])(CH3)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<4>,1|H<1>}	120.5530	0.000	1	120.5530	0.000	1	120.5530	0.000	1	120.4198	0.317	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:2:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>}	120.3865	0.644	4	120.3865	0.415	4	120.3865	0.415	4	120.4198	0.317	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]Br)(N[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]Br)(N[6]N[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(Br){1|N<2>,2|H<1>}	N[6](C[6]C[6]H)(N[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	119.8090	0.000	1	119.8090	0.000	1	119.8090	0.000	1	119.9109	0.282	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<2>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.1820	0.000	1	120.4205	0.114	2	120.4205	0.114	2	119.9109	0.282	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<2>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.6590	0.000	1	120.4205	0.114	2	120.4205	0.114	2	119.9109	0.282	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(N[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|N<2>,2|H<1>}	N[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	119.2800	0.000	1	119.2800	0.000	1	119.7799	0.296	7	119.9109	0.282	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(N[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|N<2>,2|H<1>}	N[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	119.8632	0.545	6	119.8632	0.297	6	119.7799	0.296	7	119.9109	0.282	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	120.0580	0.000	1	120.0580	0.000	1	120.0580	0.000	1	120.0570	0.000	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]C[6]H)(N[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(N[6]C[6])(CCHH)	C[6](C[6]C[6]H)(N[6]N[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	N[6](C[6]C[6]H)(N[6]C[6])(CCHH){1|H<1>,2|C<3>}	120.0560	0.000	1	120.0560	0.000	1	120.0560	0.000	1	120.0570	0.000	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]C)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	121.0953	0.903	3	121.0953	0.815	3	120.8003	1.311	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	118.4210	0.000	1	120.6239	1.357	13	120.8003	1.311	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.8890	0.000	1	120.6239	1.357	13	120.8003	1.311	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.8910	1.005	11	120.6239	1.357	13	120.8003	1.311	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	121.3572	1.093	6	121.3572	1.195	6	120.8003	1.311	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	N[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)2(H){1|C<3>,2|H<1>}	120.8710	0.861	2	120.8710	0.742	2	120.8003	1.311	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H){1|N<2>,2|C<3>,2|H<1>}	118.7250	0.000	1	118.7250	0.000	1	120.8003	1.311	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl)	N[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	N[6](C[6]C[6]Cl)2(O){2|Cl<1>,1|C<3>}	121.1960	0.088	2	121.1960	0.008	2	121.1960	0.008	2	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.1754	0.647	8	120.1754	0.419	8	120.4771	0.849	10	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	122.4150	0.000	1	122.4150	0.000	1	120.4771	0.849	10	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	120.9530	0.000	1	120.9530	0.000	1	120.4771	0.849	10	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.0740	0.000	1	121.0740	0.000	1	121.7380	0.337	3	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H)	N[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	122.0700	0.109	2	122.0700	0.012	2	121.7380	0.337	3	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]2)(C[6]N[6]H)(H)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.7810	0.000	1	121.7810	0.000	1	121.5295	0.127	2	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	N[6](C[6]C[5a,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.2780	0.000	1	121.2780	0.000	1	121.5295	0.127	2	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.3910	0.444	3	119.3910	0.197	3	119.8472	1.368	18	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6730	1.412	10	119.6730	1.993	10	119.8472	1.368	18	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]N)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]N)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7120	0.605	2	120.7120	0.366	2	119.8472	1.368	18	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.2880	0.000	1	121.2880	0.000	1	119.8472	1.368	18	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8175	0.221	2	119.8175	0.049	2	119.8472	1.368	18	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]C[5])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|N<3>}	121.7660	0.000	1	121.7660	0.000	1	121.1010	0.638	6	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	121.2082	0.708	4	121.2082	0.502	4	121.1010	0.638	6	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	120.0070	0.000	1	120.0070	0.000	1	121.1010	0.638	6	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	118.9400	0.000	1	118.9400	0.000	1	119.4581	1.218	55	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	119.2620	0.000	1	119.2620	0.000	1	119.4581	1.218	55	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	118.3700	0.000	1	119.8229	0.307	22	119.4581	1.218	55	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	119.9140	0.368	2	119.8229	0.307	22	119.4581	1.218	55	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	119.2547	0.435	3	119.8229	0.307	22	119.4581	1.218	55	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	120.0088	0.390	16	119.8229	0.307	22	119.4581	1.218	55	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){2|Br<1>,1|C<3>}	119.8640	2.596	3	119.0500	1.461	29	119.4581	1.218	55	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	118.9049	0.990	25	119.0500	1.461	29	119.4581	1.218	55	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(H){1|Br<1>,2|C<3>}	120.2340	0.000	1	119.0500	1.461	29	119.4581	1.218	55	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	121.9370	0.000	1	121.9370	0.000	1	119.4581	1.218	55	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(Br)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	121.5040	0.000	1	121.5040	0.000	1	119.4581	1.218	55	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7040	0.000	1	120.7040	0.000	1	119.8858	0.843	6	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,1|H<1>}	121.2050	0.000	1	121.2050	0.000	1	119.8858	0.843	6	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|Br<1>,1|C<3>,1|H<1>}	119.3515	0.470	4	119.3515	0.221	4	119.8858	0.843	6	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Cl<1>,1|C<3>}	119.0160	0.000	1	119.6938	0.349	24	118.7939	0.987	68	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	119.8083	0.539	21	119.6938	0.349	24	118.7939	0.987	68	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Cl<1>,1|C<3>}	118.8295	0.006	2	119.6938	0.349	24	118.7939	0.987	68	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|H<1>}	118.2646	0.825	16	118.2082	0.375	42	118.7939	0.987	68	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){2|Cl<1>,1|C<3>}	118.1735	0.452	26	118.2082	0.375	42	118.7939	0.987	68	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(Cl)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|H<1>}	121.7750	0.000	1	121.7750	0.000	1	118.7939	0.987	68	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(Cl)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)2(Cl){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|C<3>}	118.8150	0.000	1	118.8150	0.000	1	118.7939	0.987	68	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]F)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(F)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]F)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(F){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|F<1>,1|H<1>}	119.6747	0.497	15	119.6747	0.247	15	119.6747	0.247	15	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]F)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(F)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]F)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(F){1|C<3>,1|F<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|F<1>}	119.6925	0.457	2	119.6925	0.209	2	119.6925	0.209	2	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:D-1:	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(D)	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	N[6](C[6]C[6]H)2(D){1|C<3>,2|H<1>}	120.2195	0.124	2	120.1245	0.039	6	120.3061	0.348	14	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:D-1:	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(D)	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	N[6](C[6]C[6]H)2(D){1|C<3>,2|H<1>}	120.0770	0.227	4	120.1245	0.039	6	120.3061	0.348	14	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:D-1:	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(D)	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(D){1|C<3>,2|H<1>}	120.0620	0.000	1	120.0620	0.000	1	120.3061	0.348	14	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:D-1:	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(D)	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|D<1>}	N[6](C[6]C[6]H)2(D){1|C<3>,1|C<4>,1|H<1>}	119.8140	0.000	1	119.6780	0.071	3	120.3061	0.348	14	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:D-1:	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(D)	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	N[6](C[6]C[6]H)2(D){1|C<3>,2|H<1>}	119.6100	0.339	2	119.6780	0.071	3	120.3061	0.348	14	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:D-1:	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(D)	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	N[6](C[6]C[6]H)2(D){1|C<3>,2|H<1>}	121.1107	0.231	4	121.1107	0.053	4	120.3061	0.348	14	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]H)(N[6]C[6]F)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]H)(N[6]C[6]F)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|F<1>,1|H<1>}	N[6](C[6]C[6]H)2(F){1|C<3>,2|H<1>}	116.8245	3.075	2	116.8245	9.457	2	116.8245	9.457	2	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]B[6,6]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]B[6,6]C[6])(C[6]N[6]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	123.7190	0.895	2	123.7190	0.801	2	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.0571	0.880	20	120.0571	0.774	20	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	121.4133	0.698	6	120.4962	0.714	36	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.1015	0.035	2	120.4962	0.714	36	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.0585	0.600	2	120.4962	0.714	36	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.2461	1.018	13	120.4962	0.714	36	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.6090	0.637	6	120.4962	0.714	36	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.3160	0.380	7	120.4962	0.714	36	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.3975	0.718	30	120.3384	0.972	98	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.6576	1.568	24	120.3384	0.972	98	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.5562	0.570	6	120.3384	0.972	98	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	119.9637	0.427	12	120.3384	0.972	98	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.3188	0.365	10	120.3384	0.972	98	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	119.9293	0.956	12	120.3384	0.972	98	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.0528	0.597	4	120.3384	0.972	98	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	119.9015	1.208	2	120.3395	1.268	529	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.2430	0.000	1	120.3395	1.268	529	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	118.8630	0.000	1	120.3395	1.268	529	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.0445	0.317	2	120.3395	1.268	529	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	119.8400	1.124	2	120.3395	1.268	529	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	119.6423	0.676	4	120.3395	1.268	529	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.3527	1.131	517	120.3395	1.268	529	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.2170	0.000	1	120.2170	0.000	1	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	119.5142	0.480	35	119.5142	0.231	35	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	119.9062	0.706	45	119.9062	0.499	45	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.3285	0.228	2	120.8760	0.640	3	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.9710	0.000	1	120.8760	0.640	3	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.7023	1.735	3	120.7023	3.010	3	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.7346	0.593	15	120.6958	0.353	16	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.1130	0.000	1	120.6958	0.353	16	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	120.5050	0.247	3	120.9609	0.195	52	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	120.6857	0.850	3	120.9609	0.195	52	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	121.0085	0.406	46	120.9609	0.195	52	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	121.0247	0.767	3	121.0247	0.588	3	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	120.1195	0.456	2	120.1527	0.107	3	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|P<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	120.2190	0.000	1	120.1527	0.107	3	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.2484	1.110	32	120.1472	0.869	1074	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	120.1440	0.000	1	120.1472	0.869	1074	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.0174	0.495	23	120.1472	0.869	1074	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	119.7920	0.091	2	120.1472	0.869	1074	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.0961	1.025	426	120.1472	0.869	1074	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.1825	0.866	586	120.1472	0.869	1074	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	120.5135	0.293	4	120.1472	0.869	1074	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.0222	0.680	12	120.0222	0.463	12	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	120.4480	0.000	1	119.8729	0.463	132	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	119.8685	0.681	131	119.8729	0.463	132	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	118.9680	0.000	1	118.9680	0.000	1	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4547	0.797	3	120.4547	0.634	3	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.7430	0.000	1	119.9000	0.049	2	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	120.0570	0.000	1	119.9000	0.049	2	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.2273	0.461	7	120.0663	0.181	21	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	120.0690	0.000	1	120.0663	0.181	21	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	119.9428	0.615	5	120.0663	0.181	21	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.9976	0.303	7	120.0663	0.181	21	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.0360	0.000	1	120.0663	0.181	21	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.8820	0.000	1	120.3421	1.481	38	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	119.6180	0.558	3	120.3421	1.481	38	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.4771	1.301	31	120.3421	1.481	38	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.7210	0.390	2	120.3421	1.481	38	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	120.0290	0.000	1	120.3421	1.481	38	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.6740	0.395	5	119.6740	0.156	5	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.7105	1.483	11	119.7105	2.199	11	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.6910	0.503	2	120.0236	0.585	247	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.2330	0.000	1	120.0236	0.585	247	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.8072	0.399	13	120.0236	0.585	247	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	118.9200	0.000	1	120.0236	0.585	247	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.9845	0.612	142	120.0236	0.585	247	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.8980	0.264	2	120.0236	0.585	247	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	118.9133	0.407	3	120.0236	0.585	247	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	119.9250	0.000	1	120.0236	0.585	247	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	118.5840	0.000	1	120.0236	0.585	247	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.1846	0.985	81	120.0236	0.585	247	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.3148	0.861	4	119.3038	0.986	12	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.7984	0.627	8	119.3038	0.986	12	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,2|H<1>}	120.7311	1.384	7	120.7311	1.917	7	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	119.8217	0.195	3	120.5272	0.755	314	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	120.4578	0.366	21	120.5272	0.755	314	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	120.5940	0.000	1	120.5272	0.755	314	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	119.8449	1.199	21	120.5272	0.755	314	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	120.2129	0.985	35	120.5272	0.755	314	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<4>}	120.1827	0.530	4	120.5272	0.755	314	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	119.6360	0.498	5	120.5272	0.755	314	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	120.6629	0.823	207	120.5272	0.755	314	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	120.9142	0.546	17	120.5272	0.755	314	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	119.6110	0.567	2	120.0089	0.354	25	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	120.0295	0.664	18	120.0089	0.354	25	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	120.0938	0.280	5	120.0089	0.354	25	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	120.4004	0.344	7	120.2270	0.223	9	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|H<1>,2|C<3>}	119.6200	0.354	2	120.2270	0.223	9	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	120.6090	0.000	1	120.0461	0.636	43	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	119.7770	0.000	1	120.0461	0.636	43	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|S<2>}	119.2585	0.758	6	120.0461	0.636	43	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	120.2974	0.789	26	120.0461	0.636	43	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	120.1237	0.065	3	120.0461	0.636	43	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	119.7180	0.717	4	120.0461	0.636	43	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	119.5360	0.000	2	120.0461	0.636	43	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|As<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|As<3>,1|C<3>,1|H<1>}	119.6300	0.000	1	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|B<3>,1|C<3>,1|H<1>}	119.5248	0.582	13	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,1|H<1>}	119.6020	0.157	2	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	119.2685	1.222	25	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	119.4754	0.985	78	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|I<1>}	119.0937	0.381	18	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<1>}	119.3473	1.055	4	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	119.3590	0.000	1	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4472	0.841	57	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<4>}	119.5772	0.269	4	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>}	119.2301	0.644	20	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|P<4>}	120.1150	0.000	1	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	120.0870	0.000	1	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	119.8615	1.051	488	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|H<1>}	119.0025	0.876	16	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	119.6826	0.841	111	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>,1|H<1>}	119.9990	0.000	1	119.6310	1.098	841	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.6690	0.000	1	119.6690	0.000	1	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|In<6>,2|C<3>,2|H<1>}	120.3730	0.000	1	120.3730	0.000	1	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	119.4840	0.000	1	119.4840	0.000	1	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Se<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.1720	0.000	1	119.9845	0.070	2	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Se<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7970	0.000	1	119.9845	0.070	2	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	120.3805	0.796	17	120.1091	0.691	114	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	120.0692	0.853	92	120.1091	0.691	114	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.9206	0.204	5	120.1091	0.691	114	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]I)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]I)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	119.9423	0.751	30	119.9423	0.564	30	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.6990	0.000	1	121.3530	0.597	605	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>}	121.5980	0.000	1	121.3530	0.597	605	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.8398	1.384	32	121.3530	0.597	605	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	121.2050	0.000	1	121.3530	0.597	605	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	119.8560	0.000	1	121.3530	0.597	605	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3911	1.019	8	121.3530	0.597	605	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<4>}	121.1302	0.513	5	121.3530	0.597	605	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	121.0247	0.335	4	121.3530	0.597	605	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	121.4060	0.705	547	121.3530	0.597	605	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|H<1>}	120.9470	0.000	1	121.3530	0.597	605	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	121.3612	0.201	4	121.3530	0.597	605	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	121.8895	1.112	2	121.8895	1.237	2	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	121.5461	0.471	8	121.2308	1.089	9	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	118.7080	0.000	1	121.2308	1.089	9	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.9887	0.072	3	120.9887	0.005	3	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.7825	0.175	2	121.0253	0.479	50	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	121.0580	0.000	1	121.0253	0.479	50	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.9924	0.696	47	121.0253	0.479	50	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|P<4>}	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	120.0680	0.000	1	120.0680	0.000	1	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.8845	0.240	8	120.6388	0.619	60	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.6285	0.899	44	120.6388	0.619	60	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.4501	0.286	8	120.6388	0.619	60	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|S<1>,2|C<3>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	121.0200	0.000	1	121.0200	0.000	1	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.7780	0.000	1	120.7780	0.000	1	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	119.9332	0.978	92	120.3784	0.927	326	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	120.3295	0.013	2	120.3784	0.927	326	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	119.8087	0.704	40	120.3784	0.927	326	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.7109	0.864	192	120.3784	0.927	326	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	119.8206	0.124	5	120.1238	0.564	6	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|N<3>}	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	121.6400	0.000	1	120.1238	0.564	6	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	120.8906	0.517	7	120.8906	0.268	7	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	121.9853	0.206	3	121.6222	0.449	59	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	120.4960	0.782	3	121.6222	0.449	59	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	121.7388	0.568	49	121.6222	0.449	59	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Co<4>,1|C<3>,1|H<1>}	121.2720	0.649	2	121.6222	0.449	59	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.2595	0.151	2	121.6222	0.449	59	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	121.2757	0.366	3	121.2757	0.134	3	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.7100	0.000	1	120.7100	0.000	1	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	121.5312	0.081	4	121.2624	0.153	8	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	121.1520	0.292	3	121.2624	0.153	8	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<3>}	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.5180	0.000	1	121.2624	0.153	8	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	121.9900	0.000	1	121.9900	0.000	1	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,2|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	121.3298	0.176	4	121.3298	0.031	4	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]H)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	119.5370	0.000	1	119.5370	0.000	1	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,2|C<4>}	119.8535	0.687	2	119.8535	0.471	2	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,2|H<1>}	C[6](C[6]N[6]H)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	120.5143	2.560	3	120.5143	6.554	3	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	119.6412	0.754	30	119.5319	0.536	42	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|N<2>}	C[6](C[6]N[6]H)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	119.2587	0.618	12	119.5319	0.536	42	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	120.6970	0.292	12	120.5551	0.203	14	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)2(H){1|Cu<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.6260	0.000	1	120.5551	0.203	14	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)2(H){1|Pt<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.7820	0.000	1	120.5551	0.203	14	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<1>}	C[6](C[6]N[6]H)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	120.3023	0.253	3	120.3554	0.400	16	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]N[6]H)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	119.3527	0.237	3	120.3554	0.400	16	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6]H)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	120.6722	0.439	10	120.3554	0.400	16	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]H)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.6780	1.810	2	120.6780	3.277	2	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]H)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<2>}	118.3690	0.106	3	118.3690	0.011	3	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	119.7942	0.861	10	119.7942	0.741	10	120.2933	1.129	5032	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	N[6](C[6]C[6]H)2(I){1|C<3>,2|H<1>}	121.7185	0.207	2	121.7185	0.043	2	122.3059	1.102	8	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	N[6](C[6]C[6]H)2(I){1|C<3>,2|H<1>}	121.0570	0.414	2	121.0570	0.172	2	122.3059	1.102	8	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	N[6](C[6]C[6]H)2(I){1|C<3>,2|H<1>}	123.2240	0.326	4	123.2240	0.107	4	122.3059	1.102	8	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[3,5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[3,5]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.8795	0.651	2	120.8795	0.424	2	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.1315	0.361	2	120.1315	0.131	2	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.6740	0.496	34	120.6201	0.226	44	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.3321	0.244	8	120.6201	0.226	44	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.8565	0.549	2	120.6201	0.226	44	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.2590	1.345	4	120.5987	0.389	179	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.6065	0.604	175	120.5987	0.389	179	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	121.0640	0.000	1	121.0640	0.000	1	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	120.7720	0.000	1	120.7070	0.008	2	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	120.6420	0.000	1	120.7070	0.008	2	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.8140	0.196	4	120.5306	0.168	145	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.5789	0.495	47	120.5306	0.168	145	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.4943	0.362	94	120.5306	0.168	145	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	121.3440	0.407	2	121.3440	0.166	2	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.8930	0.000	1	121.4150	0.299	4	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	121.2557	0.544	3	121.4150	0.299	4	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.9843	0.044	3	120.9114	0.232	21	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7670	0.000	1	120.9114	0.232	21	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	120.5106	0.575	5	120.9114	0.232	21	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|N<3>}	121.1915	0.257	2	120.9114	0.232	21	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|O<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	121.1227	0.442	9	120.9114	0.232	21	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|O<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	120.3800	0.000	1	120.9114	0.232	21	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	120.3510	0.000	1	120.3510	0.000	1	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.0340	0.898	34	121.0281	0.756	41	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	119.9730	0.000	1	121.0281	0.756	41	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.1707	0.690	6	121.0281	0.756	41	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	120.3680	0.000	1	120.3680	0.000	1	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	120.9240	1.249	3	120.9240	1.561	3	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	122.1030	0.000	1	121.2228	0.257	14	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	121.1551	0.457	13	121.2228	0.257	14	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	120.7368	0.429	21	120.7368	0.184	21	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|Br<1>,1|C<3>,1|H<1>}	119.9908	0.142	4	120.0207	0.289	57	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	119.5953	0.420	9	120.0207	0.289	57	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.1733	0.544	38	120.0207	0.289	57	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	119.3165	0.136	2	120.0207	0.289	57	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	119.9098	0.248	4	120.0207	0.289	57	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Se)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Se<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]Se)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	118.1540	0.000	1	118.1540	0.000	1	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	121.2530	0.000	1	121.0335	0.227	10	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	121.4168	0.209	4	121.0335	0.227	10	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.9375	0.453	2	121.0335	0.227	10	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.8890	0.000	1	121.0335	0.227	10	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|O<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	120.3255	0.163	2	121.0335	0.227	10	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	121.0587	0.112	3	121.0587	0.012	3	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.9240	0.000	1	121.2227	0.425	3	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	120.8720	0.335	2	121.2227	0.425	3	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.2900	0.000	1	121.2900	0.000	1	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|I<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	122.4710	0.000	2	122.4710	0.000	2	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.6692	0.327	12	120.2698	0.760	67	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	119.6952	0.966	30	120.2698	0.760	67	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.7676	0.403	25	120.2698	0.760	67	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]N[5])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]N[5])(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	122.3620	0.000	1	122.3620	0.000	1	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.6797	0.690	8	120.6797	0.477	8	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.9600	0.692	2	120.9600	0.478	2	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	121.0641	0.798	54	121.0641	0.637	54	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)2(H){1|C<3>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(O){1|C<3>,1|H<1>}	119.6140	0.000	1	119.6140	0.000	1	120.6194	0.487	693	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(N[6]C[6]O)(O)	C[6](C[6]C[6]H)(N[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]H)(N[6]C[6]O)(O){1|C<3>,2|H<1>}	121.5595	0.022	2	121.5595	0.000	2	121.5595	0.000	2	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]I)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]I)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|I<1>}	119.5602	0.558	5	119.5602	0.312	5	119.5152	0.285	23	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]I)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]I)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|I<1>}	119.5027	0.543	18	119.5027	0.295	18	119.5152	0.285	23	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(N){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<1>}	120.7830	0.678	4	120.7830	0.459	4	120.7830	0.459	4	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.0330	0.000	1	118.4620	0.368	2	118.6367	39.859	19	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.8910	0.000	1	118.4620	0.368	2	118.6367	39.859	19	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|H<1>}	121.4770	0.000	1	121.4770	0.000	1	118.6367	39.859	19	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	123.9280	3.944	2	123.9280	15.557	2	118.6367	39.859	19	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<3>,1|S<2>}	119.3485	0.005	2	119.3485	0.000	2	118.6367	39.859	19	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	116.4920	7.922	10	117.4287	56.263	12	118.6367	39.859	19	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	122.1120	1.209	2	117.4287	56.263	12	118.6367	39.859	19	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|N<3>,2|H<1>}	121.2300	0.316	4	121.0642	0.212	5	120.7171	0.300	50	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	120.4010	0.000	1	121.0642	0.212	5	120.7171	0.300	50	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<4>,1|H<1>,1|N<3>}	119.5493	0.774	4	120.6785	0.299	45	120.7171	0.300	50	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|N<3>,2|H<1>}	120.7887	0.380	41	120.6785	0.299	45	120.7171	0.300	50	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(N[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	121.2800	0.000	1	121.2800	0.000	1	121.2800	0.000	1	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	119.6860	0.000	1	119.6860	0.000	1	119.6860	0.000	1	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	C[6](N[6]C[6]Ni)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	119.8660	0.000	1	119.8660	0.000	1	119.8660	0.000	1	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(I)	C[6](C[6]C[6]H)(C[6]N[6]I)(H)	N[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]I)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,2|H<1>}	119.5620	0.791	7	119.5620	0.625	7	119.5620	0.625	7	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(I)	C[6](C[6]C[6]H)(C[6]N[6]I)(H)	N[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	119.8840	0.714	3	119.8840	0.510	3	120.7892	1.791	5	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(I)	C[6](C[6]C[6]N)(C[6]N[6]I)(H)	N[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(I){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	122.1470	0.000	2	122.1470	0.000	2	120.7892	1.791	5	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(N)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	117.8310	0.000	2	117.8310	0.000	2	118.4007	0.974	3	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(N)	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(N){1|Cl<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	119.5400	0.000	1	119.5400	0.000	1	118.4007	0.974	3	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[5,6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]F)(N[6]C[6]H)(O)	C[6](C[5,6]C[5,6]O[5])(C[6]N[6]O)(F)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]F)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]N[6]O)(F){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|F<1>,1|N<2>}	116.8100	0.000	1	116.8100	0.000	1	116.8100	0.000	1	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(O){2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	117.4400	0.000	1	117.4400	0.000	1	117.4185	0.001	2	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|S<2>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(O){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	117.3970	0.000	1	117.3970	0.000	1	117.4185	0.001	2	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(Br)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(O){1|C<4>,2|N<3>}	C[6](C[6]N[6]C)(C[6]N[6]O)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]F)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(F)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]F)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(F){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|F<1>}	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]O)2(H){1|C<2>,1|C<3>,1|H<1>}	116.1650	0.000	1	116.1650	0.000	1	115.7705	1.380	98	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	113.9740	0.636	3	113.9740	0.404	3	115.7705	1.380	98	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,2|N<3>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	115.0660	0.344	5	115.0660	0.118	5	115.7705	1.380	98	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	115.0810	0.000	1	115.0810	0.000	1	115.7705	1.380	98	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	115.1789	0.476	20	115.0660	0.428	24	115.7705	1.380	98	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<2>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	114.5015	1.157	4	115.0660	0.428	24	115.7705	1.380	98	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]N[6]Se)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|Se<1>,1|C<4>,1|N<3>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]N[6]Se)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	114.6107	0.480	10	114.6107	0.230	10	115.7705	1.380	98	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|Cl<1>,1|N<2>,1|O<1>}	C[6](C[6]N[6]Cl)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	114.6920	0.318	2	114.6920	0.101	2	115.7705	1.380	98	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	115.3820	0.162	4	114.5984	1.106	7	115.7705	1.380	98	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	113.5537	0.643	3	114.5984	1.106	7	115.7705	1.380	98	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O){3|N<3>}	C[6](C[6]N[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	116.9675	0.660	4	116.9675	0.435	4	115.7705	1.380	98	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|S<2>,2|N<3>}	C[6](C[6]N[6]N)(C[6]N[6]O)(H){1|Zn<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|Zn<5>,1|C<3>,1|H<1>}	115.9070	0.000	1	115.9070	0.000	1	115.7705	1.380	98	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	116.8640	0.501	36	116.8640	0.251	36	115.7705	1.380	98	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(H)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,1|O<2>,1|S<1>}	C[6](C[6]N[6]O)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	116.7165	0.673	4	116.7165	0.453	4	115.7705	1.380	98	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)2(H){1|N<3>,2|O<1>}	117.3195	0.059	2	117.3195	0.003	2	117.3195	0.003	2	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(O)	C[6](N[6]N[6]Ru)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(O){1|Ru<9>,1|N<3>,1|O<1>}	C[6](N[6]N[6]Ru)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|N<3>,2|H<1>}	113.0250	0.000	1	113.0250	0.000	1	113.0250	0.000	1	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(S)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)(H)	N[6](C[6]C[6,6a]N)(C[6]C[6]S)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(S){1|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]N)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	117.1760	0.000	2	117.1760	0.000	2	117.1760	0.000	2	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	115.0750	0.215	2	115.0750	0.046	2	114.8395	0.560	11	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	114.5530	0.000	1	114.5530	0.000	1	114.8395	0.560	11	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	114.6793	0.471	3	114.6793	0.221	3	114.8395	0.560	11	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](C[6]N[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]S)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]S)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	115.9870	0.000	1	115.9870	0.000	1	114.8395	0.560	11	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](C[6]N[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]S)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	114.6265	1.055	4	114.6265	1.113	4	114.8395	0.560	11	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Se-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(Se)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	N[6](C[6]C[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Se){1|C<3>,2|H<1>}	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.3790	0.000	1	118.3790	0.000	1	118.3790	0.000	1	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0270	0.000	1	122.2248	0.931	4	121.7812	1.031	6	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.6240	0.664	3	122.2248	0.931	4	121.7812	1.031	6	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.8940	0.011	2	120.8940	0.000	2	121.7812	1.031	6	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.9770	0.000	1	121.2854	0.807	5	121.4808	0.821	8	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	121.6125	0.602	4	121.2854	0.807	5	121.4808	0.821	8	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]O)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[5a,6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	121.2650	0.503	2	121.2650	0.253	2	121.4808	0.821	8	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]N)(C[6]N[6]H)(H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|N<2>,2|N<3>}	C[6](C[6]N[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	122.8890	0.000	1	122.8890	0.000	1	121.4808	0.821	8	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	C[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|O<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.9970	0.000	1	121.9970	0.000	1	121.9970	0.000	1	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	N[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.5540	0.000	1	121.5540	0.000	1	120.1125	0.426	8	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.3640	0.000	1	119.3640	0.000	1	120.1125	0.426	8	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.8180	0.000	1	119.9970	0.053	6	120.1125	0.426	8	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.0328	0.238	5	119.9970	0.053	6	120.1125	0.426	8	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,2|C<4>,3|H<1>}	120.0690	0.020	2	120.4040	0.337	3	120.4040	0.337	3	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	121.0740	0.000	1	120.4040	0.337	3	120.4040	0.337	3	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	120.7271	0.974	10	120.8493	0.742	26	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	120.9256	0.807	16	120.8493	0.742	26	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.8940	0.000	1	120.8940	0.000	1	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[4])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C[4])(C[6]N[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	121.0580	0.503	2	121.0580	0.253	2	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.6795	0.333	2	120.6795	0.111	2	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.0940	0.000	1	121.0940	0.000	1	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	118.8830	0.000	1	118.8830	0.000	1	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.7307	0.596	6	120.7307	0.355	6	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.6882	0.177	4	120.6334	0.512	115	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	120.6060	0.000	1	120.6334	0.512	115	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|I<1>,3|C<3>}	121.2265	0.419	2	120.6334	0.512	115	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.2620	0.000	1	120.6334	0.512	115	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.1530	1.054	11	120.6334	0.512	115	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<4>,3|C<3>}	121.1190	0.000	1	120.6334	0.512	115	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	120.5744	0.724	52	120.6334	0.512	115	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.4500	0.355	2	120.6334	0.512	115	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	120.5414	0.621	41	120.6334	0.512	115	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	120.7392	0.512	9	120.7392	0.262	9	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.3646	0.912	88	120.3936	0.747	101	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.9570	0.000	1	120.3936	0.747	101	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.5598	0.387	12	120.3936	0.747	101	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	122.9110	0.124	2	122.4325	0.104	15	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.5440	0.151	4	122.4325	0.104	15	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	122.2767	0.283	9	122.4325	0.104	15	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	122.1780	1.899	2	122.1780	3.607	2	120.6794	0.802	281	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.9300	0.000	1	120.9935	0.008	2	121.2646	0.356	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	121.0570	0.000	1	120.9935	0.008	2	121.2646	0.356	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	121.4530	0.000	1	121.2906	0.430	20	121.2646	0.356	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	121.7470	0.345	3	121.2906	0.430	20	121.2646	0.356	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	121.0450	0.000	1	121.2906	0.430	20	121.2646	0.356	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	121.1900	0.995	4	121.2906	0.430	20	121.2646	0.356	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	121.2104	0.643	11	121.2906	0.430	20	121.2646	0.356	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	121.3605	0.400	2	121.3605	0.160	2	121.2646	0.356	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|S<2>,2|C<3>}	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	121.0930	0.000	1	121.0930	0.000	1	121.2646	0.356	25	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H)	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	121.9077	0.300	4	121.9077	0.090	4	121.9077	0.090	4	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]H)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(H)	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]N[5,6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	118.3500	0.000	1	118.3500	0.000	1	118.3500	0.000	1	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){2|H<1>,3|C<3>}	115.7755	0.193	2	115.7755	0.037	2	116.1827	0.070	10	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S)	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){2|H<1>,3|C<3>}	116.2845	0.159	8	116.2845	0.025	8	116.1827	0.070	10	120.2366	1.628	6544	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(NS)	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(NS){1|H<1>,2|C<3>}	120.1080	0.000	1	120.1080	0.000	1	120.1080	0.000	1	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-2:	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(IN[6])	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<2>}	N[6](C[6]C[6]H)2(IN[6]){1|C<3>,2|H<1>}	121.3304	0.466	37	121.3304	0.217	37	121.3304	0.217	37	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(NC)	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	119.8380	0.156	2	119.8380	0.024	2	119.5946	1.604	58	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(NIr)	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(NIr){1|C<3>,2|H<1>}	120.9670	0.000	1	120.9670	0.000	1	119.5946	1.604	58	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(NC)	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	119.5405	1.341	48	119.5405	1.798	48	119.5946	1.604	58	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(NC[5])	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)2(NC[5]){1|C<3>,2|H<1>}	119.6410	0.668	2	119.6410	0.446	2	119.5946	1.604	58	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(NS)	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	N[6](C[6]C[6]H)2(NS){1|C<3>,1|C<4>,1|H<1>}	119.0180	0.000	1	119.0180	0.000	1	119.5946	1.604	58	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(NW)	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)2(NW){1|C<3>,2|H<1>}	119.8998	1.092	4	119.8998	1.192	4	119.5946	1.604	58	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OBi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6]H)2(OBi){1|C<3>,2|H<1>}	119.9685	0.084	2	119.9685	0.007	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OCd)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6]H)2(OCd){1|C<3>,2|H<1>}	120.4240	0.317	2	120.4240	0.100	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OCo)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6]H)2(OCo){1|C<3>,2|H<1>}	120.5257	0.487	10	120.5257	0.237	10	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6]H)2(OH){1|C<3>,2|H<1>}	119.1412	0.224	6	119.1412	0.050	6	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OMn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6]H)2(OMn){1|C<3>,2|H<1>}	120.7403	0.587	6	120.7403	0.344	6	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(ONi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6]H)2(ONi){1|C<3>,2|H<1>}	120.5325	0.175	2	120.5325	0.031	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OSn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6]H)2(OSn){1|C<3>,2|H<1>}	119.9820	0.357	4	119.9820	0.127	4	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OZn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6]H)2(OZn){1|C<3>,2|H<1>}	120.1112	0.297	6	120.1112	0.088	6	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OMn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OMn){1|C<3>,2|H<1>}	120.0457	0.503	6	120.0457	0.253	6	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(ONi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(ONi){1|C<3>,2|H<1>}	119.9740	0.223	4	119.9740	0.050	4	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OSn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OSn){1|C<3>,2|H<1>}	119.7105	0.062	2	119.7105	0.004	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(OMn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(OMn){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.4240	0.000	1	120.4240	0.000	1	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OBi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OBi){1|N<3>,2|C<3>,2|H<1>}	119.7530	0.354	2	119.7530	0.125	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OCo)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OCo){1|N<3>,2|C<3>,2|H<1>}	120.7760	0.602	4	120.7760	0.362	4	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OFe)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OFe){1|N<3>,2|C<3>,2|H<1>}	121.3658	0.637	4	121.3658	0.406	4	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OMn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OMn){1|N<3>,2|C<3>,2|H<1>}	120.6530	0.267	2	120.6530	0.071	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(ONi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]2)(C[6]C[6]H)(ONi){1|N<3>,2|C<3>,2|H<1>}	120.7285	0.231	4	120.7285	0.053	4	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OSn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OSn){1|N<3>,2|C<3>,2|H<1>}	119.9324	0.358	5	119.9324	0.128	5	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OFe)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OFe){1|C<3>,2|H<1>}	119.5910	0.000	1	119.5910	0.000	1	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(ONi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(ONi){1|C<3>,2|H<1>}	119.6820	0.219	2	119.6820	0.048	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(ONi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(ONi){1|C<3>,2|H<1>}	121.4585	0.094	4	121.4585	0.009	4	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(OPd)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(OPd){1|C<3>,2|H<1>}	121.1125	0.979	4	121.1125	0.959	4	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(OCo)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]P)(OCo){1|C<3>,2|H<1>}	120.3200	0.000	1	120.3200	0.000	1	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OCr)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OCr){1|C<3>,2|H<1>}	120.2500	0.391	3	120.2500	0.153	3	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OH)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OH){1|C<3>,2|H<1>}	119.0870	0.000	1	119.0870	0.000	1	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OIr)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OIr){1|C<3>,2|H<1>}	119.3850	0.000	1	119.3850	0.000	1	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OMg)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OMg){1|C<3>,2|H<1>}	121.2910	0.000	1	121.2910	0.000	1	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OPd)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OPd){1|C<3>,2|H<1>}	120.1460	0.656	2	120.1460	0.431	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(ORu)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(ORu){1|C<3>,2|H<1>}	120.3225	0.190	2	120.3225	0.036	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OSn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OSn){1|C<3>,2|H<1>}	120.4270	0.018	2	120.4270	0.000	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OZn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OZn){1|C<3>,2|H<1>}	121.3452	0.383	4	121.3452	0.147	4	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OB)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	N[6](C[6]C[6]H)2(OB){1|H<1>,2|C<3>}	118.9895	0.107	2	118.9895	0.011	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OB[5])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OB[5]){1|C<3>,2|H<1>}	119.2705	0.142	2	119.2705	0.020	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OB[6a])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OB[6a]){1|C<3>,2|H<1>}	118.2485	0.573	2	118.2485	0.329	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OC){1|C<3>,2|H<1>}	117.8655	0.244	2	117.8655	0.060	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OCo)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OCo){1|C<3>,2|H<1>}	120.1210	0.280	9	120.0382	0.138	10	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OCo)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|O<2>}	N[6](C[6]C[6]H)2(OCo){1|C<3>,1|H<1>,1|O<2>}	119.2930	0.000	1	120.0382	0.138	10	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OCu)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OCu){1|C<3>,2|H<1>}	120.3045	0.360	2	120.3045	0.130	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OFe)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OFe){1|C<3>,2|H<1>}	120.1816	0.386	5	120.1816	0.149	5	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OMn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]H)2(OMn){1|C<3>,1|C<4>,1|H<1>}	119.0820	0.000	1	120.1482	0.295	9	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OMn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OMn){1|C<3>,2|H<1>}	120.2815	0.393	8	120.1482	0.295	9	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OMo)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OMo){1|C<3>,2|H<1>}	119.4875	0.176	2	119.4875	0.031	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OPd)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OPd){1|C<3>,2|H<1>}	119.4975	1.189	2	119.4975	1.413	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(ORu)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(ORu){1|C<3>,2|H<1>}	119.1750	0.170	2	119.1750	0.029	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OSi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OSi){1|C<3>,2|H<1>}	119.3227	0.677	4	119.3227	0.459	4	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OSn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OSn){1|C<3>,2|H<1>}	119.5143	0.262	4	119.5143	0.069	4	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Rh)(C[6]C[6]H)(ORh)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]Rh)(C[6]C[6]H)(ORh){1|C<3>,2|H<1>}	120.1115	0.183	2	120.1115	0.034	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(OIr)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(OIr){2|H<1>,3|C<3>}	120.6990	0.000	1	120.6990	0.000	1	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<3>,2|H<1>}	120.9670	0.000	1	120.9670	0.000	1	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OB)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OB){1|C<3>,2|H<1>}	120.2812	0.661	6	120.2812	0.437	6	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OCo)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OCo){1|C<3>,2|H<1>}	120.4820	0.342	2	120.4820	0.117	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OFe)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OFe){1|C<3>,2|H<1>}	121.4750	0.354	4	121.4750	0.125	4	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(ONi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(ONi){1|C<3>,2|H<1>}	120.7340	0.058	2	120.7340	0.003	2	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OZn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OZn){1|C<3>,2|H<1>}	121.0085	0.547	4	121.0085	0.299	4	120.2106	0.637	170	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(SN[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)2(SN[6]){1|C<3>,2|H<1>}	121.9085	0.132	2	121.9085	0.017	2	121.1565	0.760	4	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(SN[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6]C[6]H)2(SN[6]){1|C<3>,2|H<1>}	120.4045	0.040	2	120.4045	0.002	2	121.1565	0.760	4	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<4>,1|H<1>,1|N<3>}	119.8080	0.000	1	119.8080	0.000	1	119.8080	0.000	1	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OH)	C[6](C[6]C[6]H)(N[6]C[6]O)(S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OH){1|C<3>,2|H<1>}	114.3700	0.000	1	114.3700	0.000	1	114.3700	0.000	1	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6](N[6]C[6,6a]N)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC)	C[6](N[6]C[6,6a]N)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC){2|H<1>,3|C<3>}	121.0040	0.000	1	121.0040	0.000	1	121.0040	0.000	1	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(OPt)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(OPt){1|H<1>,1|N<3>,3|C<3>}	120.8980	0.000	1	120.8980	0.000	1	120.0504	0.437	5	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OCo)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OCo){1|H<1>,1|O<2>,3|C<3>}	120.3570	0.000	1	120.3570	0.000	1	120.0504	0.437	5	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OIr)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OIr){1|H<1>,3|C<3>}	119.1030	0.000	1	119.1030	0.000	1	120.0504	0.437	5	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OPd)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OPd){1|H<1>,3|C<3>}	120.0410	0.000	1	120.0410	0.000	1	120.0504	0.437	5	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OB)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OB){2|H<1>,3|C<3>}	119.8530	0.000	1	119.8530	0.000	1	120.0504	0.437	5	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:As-2:	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(AsN)	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|As<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(AsN){1|N<2>,2|C<3>,2|H<1>}	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H){4|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	121.4370	0.000	1	121.4370	0.000	1	121.4370	0.000	1	120.2287	1.147	280	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	N[6](C[6]C[6]Cl)2(BCl2)	C[6](C[6]C[6]H)(N[6]C[6]B)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Cl)2(BCl2){1|C<3>,2|H<1>}	121.2815	0.370	2	121.2815	0.137	2	121.2815	0.137	2	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:B[5]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]H)(B[5]O[5]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]H)(B[5]O[5]2)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	122.9640	0.000	1	122.9640	0.000	1	122.9640	0.000	1	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	119.9510	0.000	1	119.9510	0.000	1	119.9510	0.000	1	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	120.4580	0.000	1	120.4580	0.000	1	120.4580	0.000	1	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6]Br)(N[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)(N[6]C[6]C)(COO)	C[6](C[6]C[6]Br)(N[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(N[6]C[6]C)(COO){2|Br<1>,1|C<3>,1|H<1>}	123.0770	0.000	1	123.0770	0.000	1	123.0770	0.000	1	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]Cl)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	N[6](C[6]C[6]H)2(BC[6a]C)	C[6](C[6]C[6]Cl)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	121.5130	0.000	1	121.5130	0.000	1	121.5130	0.000	1	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](BC[6a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](BC[6a]C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	123.1400	0.177	2	123.1400	0.031	2	123.1400	0.031	2	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BFeN)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BFeN){1|C<3>,2|H<1>}	121.7665	0.644	2	121.7665	0.415	2	122.4135	1.205	22	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2){1|C<3>,2|H<1>}	121.6910	0.000	1	121.6910	0.000	1	122.4135	1.205	22	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BClOs)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BClOs){1|C<3>,2|H<1>}	122.8880	0.000	1	122.8880	0.000	1	122.4135	1.205	22	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BOsO)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BOsO){1|C<3>,2|H<1>}	121.5920	0.000	1	121.5920	0.000	1	122.4135	1.205	22	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BBr2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BBr2){1|C<3>,2|H<1>}	122.4370	1.782	4	122.4370	3.177	4	122.4135	1.205	22	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]C)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]C){1|C<3>,2|H<1>}	122.1015	0.154	4	122.1076	0.018	5	122.4135	1.205	22	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]C)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|B<3>,1|C<3>}	N[6](C[6]C[6]H)2(BC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	122.1320	0.000	1	122.1076	0.018	5	122.4135	1.205	22	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BCl2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BCl2){1|C<3>,2|H<1>}	121.1440	0.024	2	121.1440	0.001	2	122.4135	1.205	22	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[5]B)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[5]B){1|C<3>,2|H<1>}	124.0645	0.954	2	124.0645	0.910	2	122.4135	1.205	22	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]2){1|C<3>,2|H<1>}	123.5030	0.156	2	123.5030	0.024	2	122.4135	1.205	22	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BN[6]As)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BN[6]As){1|C<3>,2|H<1>}	122.8415	0.466	2	122.8415	0.217	2	122.4135	1.205	22	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6]H)2(COO){1|C<3>,2|H<1>}	121.5805	0.108	2	121.5805	0.012	2	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	120.0015	0.212	4	119.9924	0.077	20	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	120.0934	0.311	10	119.9924	0.077	20	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	119.8178	0.188	6	119.9924	0.077	20	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CCH){1|C<3>,2|H<1>}	121.8260	0.416	2	121.8260	0.173	2	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	122.5060	1.041	2	122.5060	1.083	2	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(CC[5]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CC[5]C){1|C<3>,2|H<1>}	121.4260	0.000	1	121.4260	0.000	1	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(CFeO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CFeO){1|C<3>,2|H<1>}	120.3990	0.000	1	120.3990	0.000	1	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	119.9445	0.062	2	119.6365	0.311	4	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	118.8040	0.000	1	119.6365	0.311	4	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){3|C<3>}	N[6](C[6]C[6]H)2(CCC){1|H<1>,2|C<3>}	119.8530	0.000	1	119.6365	0.311	4	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CCH){1|C<3>,2|H<1>}	121.0245	0.009	2	121.0245	0.000	2	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]H){1|C<3>,2|H<1>}	120.1315	0.853	2	120.1315	0.728	2	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CN[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){2|C<3>}	N[6](C[6]C[6]H)2(CN[6]H){1|C<3>,1|H<1>}	121.0640	0.000	1	120.1327	1.313	3	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CN[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CN[6]H){1|C<3>,2|H<1>}	119.6670	1.151	2	120.1327	1.313	3	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CSS)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CSS){1|C<3>,2|H<1>}	120.0555	0.103	2	120.0555	0.011	2	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	120.5590	0.000	1	120.5590	0.000	1	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C){2|H<1>,3|C<3>}	120.6110	0.000	1	120.6110	0.000	1	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	121.6665	0.453	24	121.6665	0.205	24	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCN)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CCN){1|C<3>,2|H<1>}	121.8630	0.055	2	121.8630	0.003	2	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]N){1|C<3>,2|H<1>}	121.9845	0.111	2	121.9845	0.012	2	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(COO){1|C<3>,2|H<1>}	121.3295	0.465	2	121.3295	0.216	2	120.9094	0.923	73	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	120.4985	0.189	4	120.4985	0.036	4	120.3501	0.737	10	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	118.7920	0.000	1	119.4293	0.337	3	120.3501	0.737	10	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	119.7480	0.255	2	119.4293	0.337	3	120.3501	0.737	10	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cd<5>,3|C<3>,3|H<1>}	121.7600	0.000	1	121.0730	0.827	3	120.3501	0.737	10	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cd<6>,3|C<3>,3|H<1>}	120.0420	0.000	1	121.0730	0.827	3	120.3501	0.737	10	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cu<5>,3|C<3>,3|H<1>}	121.4170	0.000	1	121.0730	0.827	3	120.3501	0.737	10	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(NHH){1|C<3>,2|H<1>}	119.8590	0.146	2	119.8590	0.021	2	120.3318	0.438	6	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S)	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S){1|C<3>,2|H<1>}	120.2950	0.000	1	120.2950	0.000	1	120.3318	0.438	6	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(NIrC)	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]S)(NIrC){1|C<3>,2|H<1>}	120.2360	0.000	1	120.2360	0.000	1	120.3318	0.438	6	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(NCoC)	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(NCoC){1|C<3>,2|H<1>}	120.8710	1.062	2	120.8710	1.128	2	120.3318	0.438	6	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OCu2)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	N[6](C[6]C[6]H)2(OCu2){1|C<3>,2|H<1>}	119.5070	0.249	4	119.5070	0.062	4	119.7475	0.379	11	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OMn2)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	N[6](C[6]C[6]H)2(OMn2){1|C<3>,2|H<1>}	119.7585	0.791	2	119.7585	0.626	2	119.7475	0.379	11	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn2)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn2){1|C<3>,2|H<1>}	120.9540	0.000	1	120.9540	0.000	1	119.7475	0.379	11	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OMn2)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<3>}	N[6](C[6]C[6]H)2(OMn2){1|C<3>,1|C<4>,1|H<1>}	119.3695	0.392	2	119.6810	0.425	4	119.7475	0.379	11	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(OMn2)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	N[6](C[6]C[6]H)2(OMn2){1|C<3>,2|H<1>}	119.9925	0.856	2	119.6810	0.425	4	119.7475	0.379	11	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(PCP)	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	N[6](C[6]C[6]H)2(PCP){1|C<3>,2|H<1>}	122.3280	0.247	3	122.3280	0.061	3	122.3169	0.834	11	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(PC[6a]2)	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	N[6](C[6]C[6]H)2(PC[6a]2){1|C<3>,2|H<1>}	120.7265	0.633	2	120.7265	0.401	2	122.3169	0.834	11	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(PClN)	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	N[6](C[6]C[6]H)2(PClN){1|C<3>,2|H<1>}	122.9420	0.263	2	122.9420	0.069	2	122.3169	0.834	11	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(PN[6]N)	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	N[6](C[6]C[6]H)2(PN[6]N){1|C<3>,2|H<1>}	122.7912	0.580	4	122.7912	0.336	4	122.3169	0.834	11	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	I-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<3>}	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	120.8910	0.239	2	120.8910	0.057	2	121.2043	1.542	6	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	I-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](IC[6a]N[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<3>}	N[6](IC[6a]N[6])(C[6]C[6]H)2{1|C<3>,2|H<1>}	120.0150	0.337	2	120.0150	0.113	2	121.2043	1.542	6	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	I-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](IC[6a]N[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<3>}	N[6](IC[6a]N[6])(C[6]C[6]H)2{1|C<3>,2|H<1>}	122.7070	0.014	2	122.7070	0.000	2	121.2043	1.542	6	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]N[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](N[6]B[5]C[6])(C[6]C[6]H)(BC[6a]2)	C[6](C[6]C[6]H)(N[6]N[6]B)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|H<1>,1|N<3>}	N[6](N[6]B[5]C[6])(C[6]C[6]H)(BC[6a]2){1|C<3>,2|H<1>,2|O<2>}	119.8760	0.000	1	119.8760	0.000	1	119.8760	0.000	1	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|C<4>,1|H<1>,1|N<3>}	119.2010	0.318	4	119.2010	0.101	4	121.3909	1.969	15	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCO)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	122.1873	0.333	11	122.1873	0.111	11	121.3909	1.969	15	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	C[6](N[6]B[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|B<3>,2|C<3>}	C[6](N[6]B[5]C[6])(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2){1|N<3>,2|H<1>}	121.4390	0.000	1	121.4390	0.000	1	121.4390	0.000	1	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]H)(N[6]C[6]2)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]O)2{1|C<2>,3|C<3>,3|H<1>}	115.8560	0.000	1	115.8560	0.000	1	115.8560	0.000	1	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(CC[5]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CC[5]C){1|C<3>,2|H<1>}	115.2830	0.000	1	115.2830	0.000	1	115.2830	0.000	1	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5]-3:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[6](B[5]O[5]2)(C[6]C[6]H)2{1|C<3>,2|C<4>,2|H<1>}	123.3300	0.455	2	123.3300	0.207	2	123.3300	0.207	2	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5]-3:C[6]-3:N[6]-3:	C[6](N[6]B[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)(N[6]C[6]B)	C[6](N[6]B[5]N[6])(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|H<1>,1|N<3>}	N[6](B[5]O[5]2)(C[6]C[6]H)(N[6]C[6]B){1|C<3>,2|C<4>,2|H<1>}	119.9000	0.000	1	119.9000	0.000	1	119.9000	0.000	1	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5a]-3:C[6]-3:C[6]-3:	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](B[5a]N[5a]2)(C[6]C[6]H)2	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](B[5a]N[5a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	123.2450	0.470	2	123.2450	0.220	2	123.2450	0.220	2	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-3:C[6]-3:C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](B[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[6](B[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	122.7145	0.294	4	122.7145	0.086	4	122.2109	0.278	10	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-3:C[6]-3:C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	N[6](B[6]O[6]2)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](B[6]O[6]2)(C[6]C[6]H)2{1|C<3>,2|C<4>,2|H<1>}	122.0825	0.260	2	122.0825	0.067	2	122.2109	0.278	10	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-3:C[6]-3:C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](B[6]C[6]2)(C[6]C[6]H)2{3|H<1>,4|C<3>}	121.7715	0.345	4	121.7715	0.119	4	122.2109	0.278	10	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[6a]O[6a]2)(C[6]C[6]H)2	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](B[6a]O[6a]2)(C[6]C[6]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	121.5752	1.578	8	121.5752	2.489	8	121.5752	2.489	8	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[4]-3:C[6]-3:C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]N)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	N[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]N){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	120.7720	0.000	1	120.7720	0.000	1	120.5973	0.777	8	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[4]-3:C[6]-3:C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	120.1300	0.000	1	119.6150	0.530	2	120.5973	0.777	8	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[4]-3:C[6]-3:C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){3|C<3>}	N[6](C[4]C[4]2)(C[6]C[6]H)2{1|H<1>,2|O<1>,3|C<3>}	119.1000	0.000	1	119.6150	0.530	2	120.5973	0.777	8	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[4]-3:C[6]-3:C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	121.9390	0.000	1	121.9390	0.000	1	120.5973	0.777	8	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[4]-3:C[6]-3:C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	121.0535	0.743	2	121.0535	0.552	2	120.5973	0.777	8	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[4]-3:C[6]-3:C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	120.3650	0.273	2	120.3650	0.074	2	120.5973	0.777	8	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	N[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	121.4325	0.572	2	121.4325	0.327	2	120.5247	1.000	12	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,4|C<3>}	120.0890	0.086	2	120.0890	0.007	2	120.5247	1.000	12	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|C<3>,2|C<4>,4|H<1>}	119.9483	0.327	4	119.8683	0.082	6	120.5247	1.000	12	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|N<2>,2|H<1>,3|C<3>}	119.7085	0.107	2	119.8683	0.082	6	120.5247	1.000	12	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[5]C[5]2)(C[6]C[6]H)2{1|Br<1>,2|C<3>,2|O<2>,3|H<1>}	122.0220	1.075	2	122.0220	1.155	2	120.5247	1.000	12	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[5a]C[5a]2)(C[6]C[6]H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.3905	0.054	2	120.3905	0.003	2	120.3905	0.003	2	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:As-3:	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(AsN[6]2)	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|As<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(AsN[6]2){1|C<3>,2|H<1>}	122.2098	0.659	5	122.2098	0.434	5	122.2098	0.434	5	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ge-3:	C[6](N[6]C[6]Ge)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(GeCl2)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(GeCl2){1|C<3>,2|H<1>}	123.1660	0.173	2	123.1660	0.030	2	123.1660	0.030	2	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P[4]-3:	C[6](N[6]C[6]P[4])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(P[4]N[4]2)	C[6](N[6]C[6]P[4])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	N[6](C[6]C[6]H)2(P[4]N[4]2){1|P<3>,2|H<1>,3|C<3>}	123.0653	0.243	4	123.0653	0.059	4	123.0653	0.059	4	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{3|H<1>,4|C<3>}	119.8045	0.046	2	119.8045	0.002	2	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	120.0340	0.086	2	120.5614	1.001	62	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	120.5790	1.013	60	120.5614	1.001	62	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]N[6a]2)(C[6]C[6]H)2{2|H<1>,3|C<3>}	120.8135	2.087	4	120.8135	4.357	4	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	121.0610	0.194	2	120.8852	0.385	16	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	120.8601	0.661	14	120.8852	0.385	16	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6a]N[6a]2)(C[6]C[6]H)2{2|H<1>,3|C<3>}	120.6885	0.558	2	120.6885	0.311	2	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]N){3|C<3>,4|H<1>}	121.0450	0.000	1	121.0450	0.000	1	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P){2|H<1>,2|O<2>,3|C<3>}	120.7110	0.000	1	120.9170	0.085	2	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P){2|C<4>,2|H<1>,3|C<3>}	121.1230	0.000	1	120.9170	0.085	2	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|Cl<1>,2|H<1>,3|C<3>}	119.6220	0.202	2	120.1212	0.681	17	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	120.1878	0.858	15	120.1212	0.681	17	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P){3|C<3>,3|H<1>}	121.0210	0.178	3	121.0210	0.032	3	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6a]C[5,6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[5,6a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	121.9070	0.404	2	121.9070	0.164	2	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	121.6005	0.200	2	121.6005	0.040	2	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|Cl<1>,2|H<1>,3|C<3>}	121.1905	0.279	2	121.1905	0.078	2	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{3|C<3>,4|H<1>}	121.3625	0.008	2	121.3625	0.000	2	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|O<1>,3|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	123.4030	0.000	1	123.4030	0.000	1	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	121.3385	0.114	2	121.3385	0.013	2	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	119.9365	0.351	2	120.6213	0.151	12	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	120.7583	0.215	10	120.6213	0.151	12	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]N[6a]2)(C[6]C[6]H)2{2|H<1>,3|C<3>}	120.5230	0.076	2	120.5230	0.006	2	120.6561	0.878	134	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ge[4]-3:C[6]-3:C[6]-3:	C[6](N[6]Ge[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](Ge[4]N[4]2)(C[6]C[6]H)2	C[6](N[6]Ge[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	N[6](Ge[4]N[4]2)(C[6]C[6]H)2{1|B<3>,2|H<1>,3|C<3>}	124.0655	0.285	2	124.0655	0.081	2	124.0655	0.081	2	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]Si[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](Si[6a]N[6a]2)(C[6]C[6]H)2	C[6](N[6]Si[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<3>,1|C<3>,1|H<1>}	N[6](Si[6a]N[6a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	124.1300	0.259	2	124.1300	0.067	2	124.1300	0.067	2	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	B[5]-3:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|B<3>,2|C<3>}	N[6](B[5]O[5]2)(C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	121.2980	0.000	1	121.2980	0.000	1	121.2980	0.000	1	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{3|C<3>,5|H<1>}	117.1040	0.000	1	117.1040	0.000	1	117.1040	0.000	1	121.0386	1.715	363	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(Br){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	119.7950	1.898	3	119.5592	3.902	5	119.5592	3.902	5	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(Br){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	121.2040	0.000	1	119.5592	3.902	5	119.5592	3.902	5	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(Br){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|I<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|I<1>}	117.2070	0.000	1	119.5592	3.902	5	119.5592	3.902	5	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	C[6](C[6]C[6]Ni)(C[6]N[6]Cl)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ni)(C[6]N[6]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	122.2790	0.000	1	122.2790	0.000	1	121.6113	0.230	6	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	C[6](C[6]C[6]Pd)(C[6]N[6]Cl)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Pd)(C[6]N[6]Cl)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	121.2140	0.000	1	121.2140	0.000	1	121.6113	0.230	6	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	121.6760	0.000	1	121.6760	0.000	1	121.6113	0.230	6	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	121.4997	0.503	3	121.4997	0.253	3	121.6113	0.230	6	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:D-1:	C[6]-3:C[6]-3:D-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]D)(N[6]C[6]C)(D)	C[6](C[6]C[6]D)(C[6]N[6]D)(D)	N[6](C[6]C[6]D)2(CC[6a]HH)	C[6](C[6]C[6]D)(N[6]C[6]C)(D){1|C<2>,2|D<1>}	C[6](C[6]C[6]D)(C[6]N[6]D)(D){1|C<3>,1|C<4>}	N[6](C[6]C[6]D)2(CC[6a]HH){1|C<3>,1|D<1>}	122.3700	0.000	1	120.4195	1.598	13	120.4195	1.598	13	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:D-1:	C[6]-3:C[6]-3:D-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]D)(N[6]C[6]C)(D)	C[6](C[6]C[6]D)(C[6]N[6]D)(D)	N[6](C[6]C[6]D)2(CC[6a]HH)	C[6](C[6]C[6]D)(N[6]C[6]C)(D){1|C<3>,2|D<1>}	C[6](C[6]C[6]D)(C[6]N[6]D)(D){1|C<3>,1|C<4>,1|D<1>}	N[6](C[6]C[6]D)2(CC[6a]HH){1|C<3>,2|D<1>}	120.2570	1.170	12	120.4195	1.598	13	120.4195	1.598	13	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(F)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	N[6](C[6]C[6]F)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]F)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	123.9965	0.217	2	123.9965	0.047	2	123.9965	0.047	2	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H)	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H)	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H){1|C<4>,1|P<4>,3|C<3>}	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|P<4>}	121.5465	0.022	2	121.5465	0.000	2	121.7740	0.074	4	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H)	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H)	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]2)(C[6]N[6]H)(H){1|C<4>,1|P<4>,3|C<3>}	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	122.0015	0.121	2	122.0015	0.015	2	121.7740	0.074	4	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]C[6]H)(CH3)	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H){1|S<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[6](C[6]C[5a,6]S)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	122.8307	0.292	3	122.8307	0.085	3	122.4742	0.565	4	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|C<4>,1|S<2>,3|C<3>}	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	121.4050	0.000	1	121.4050	0.000	1	122.4742	0.565	4	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]Br)(N[6]C[6]C)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]H)(Br)	N[6](C[6]N[6,6]O)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6]Br)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]H)(Br){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]N[6,6]O)(C[6]C[6]H)(CCHH){1|Br<1>,1|B<4>,1|C<3>}	121.0410	0.000	1	121.0410	0.000	1	121.0410	0.000	1	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	121.1455	1.118	2	121.1455	1.250	2	121.2020	0.986	49	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	120.7620	0.000	1	120.7620	0.000	1	121.2020	0.986	49	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	120.8150	0.000	1	120.8150	0.000	1	121.2020	0.986	49	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	121.4140	0.000	1	121.4140	0.000	1	121.2020	0.986	49	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	121.2764	1.176	17	121.2764	1.383	17	121.2020	0.986	49	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[5]HH)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[5]HH){1|H<1>,2|C<3>}	119.4680	0.000	1	119.4680	0.000	1	121.2020	0.986	49	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	120.8429	1.156	7	121.0119	0.746	13	121.2020	0.986	49	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	121.2092	0.319	6	121.0119	0.746	13	121.2020	0.986	49	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.8967	0.796	4	120.7220	0.628	5	121.2020	0.986	49	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.0230	0.000	1	120.7220	0.628	5	121.2020	0.986	49	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]Ir)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|Ir<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]Ir)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	122.0563	1.036	3	122.0563	1.074	3	121.2020	0.986	49	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|Rh<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	121.6810	0.369	2	121.6810	0.136	2	121.2020	0.986	49	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CC[6a]CH)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|Rh<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CC[6a]CH){1|H<1>,2|C<3>}	121.6210	0.000	1	121.6210	0.000	1	121.2020	0.986	49	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]Se)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|Se<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]Se)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	122.2660	0.024	2	122.2660	0.001	2	121.2020	0.986	49	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	121.5480	0.427	3	121.5480	0.182	3	119.8981	0.829	34	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)(C[6]C[6]I)(CCHH)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]I)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	121.1240	0.000	1	121.1240	0.000	1	119.8981	0.829	34	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	119.8233	0.580	4	119.8233	0.336	4	119.8981	0.829	34	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(CH3){2|Br<1>,1|C<3>}	119.4664	0.736	14	119.5858	0.421	25	119.8981	0.829	34	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|Br<1>,1|C<3>,1|H<1>}	119.7379	0.511	11	119.5858	0.421	25	119.8981	0.829	34	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(Br)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(Br){1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|Br<1>,1|C<3>}	121.8300	0.000	1	121.8300	0.000	1	119.8981	0.829	34	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	119.8065	0.390	2	119.8065	0.152	2	119.6993	0.110	3	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|Cl<1>,1|C<3>,1|H<1>}	119.4850	0.000	1	119.4850	0.000	1	119.6993	0.110	3	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]F)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]F)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|F<1>,1|H<1>}	118.4640	0.000	1	118.4640	0.000	1	119.1120	0.336	3	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]F)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(F)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]F)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(F){1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|F<1>}	119.4360	0.205	2	119.4360	0.042	2	119.1120	0.336	3	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BHHN)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	121.4895	0.374	2	121.4895	0.140	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6]CC)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6]CC){1|C<3>,2|H<1>}	122.5116	0.169	10	122.5116	0.028	10	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BCCO)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BCCO){1|C<3>,2|H<1>}	122.6803	0.300	4	122.6803	0.090	4	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BCHH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BCHH){1|C<3>,2|H<1>}	121.9065	0.030	2	121.9065	0.001	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]2P)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]2P){1|C<3>,2|H<1>}	122.4825	0.180	2	122.4825	0.033	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	122.4025	0.224	4	122.4216	0.056	7	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	122.2975	0.216	2	122.4216	0.056	7	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	122.7460	0.000	1	122.4216	0.056	7	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BH3){1|C<3>,2|H<1>}	122.5935	0.278	2	122.5935	0.077	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BN[6]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BN[6]3){1|C<3>,2|H<1>}	121.7523	0.533	16	121.7523	0.284	16	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	123.9880	0.676	2	123.9880	0.457	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC3){1|C<3>,2|H<1>}	123.7595	0.059	2	123.7595	0.003	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2C)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2C){1|C<3>,2|H<1>}	123.5090	0.000	1	123.5090	0.000	1	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<2>,1|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<2>,1|C<3>,1|H<1>}	123.2915	0.255	2	123.4395	0.087	4	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	123.3560	0.000	1	123.4395	0.087	4	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	123.8190	0.000	1	123.4395	0.087	4	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BCl3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BCl3){1|C<3>,2|H<1>}	123.2645	0.210	2	123.2645	0.044	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BC[6a]3){1|C<3>,2|H<1>}	123.4115	0.175	2	123.4115	0.031	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[5]2Pt)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[5]2Pt){1|C<3>,2|H<1>}	122.0660	0.000	1	122.0660	0.000	1	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Pd)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Pd){1|C<3>,2|H<1>}	121.7343	0.282	3	121.7343	0.080	3	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Ru)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Ru){1|C<3>,2|H<1>}	122.8650	0.094	3	122.8650	0.009	3	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]RhH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]RhH){1|C<3>,2|H<1>}	122.0445	0.218	2	122.0445	0.048	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[5]CF)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[5]CF){1|C<3>,2|H<1>}	121.8865	0.641	2	121.8865	0.411	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[5]HH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[5]HH){1|C<3>,2|H<1>}	122.1485	0.039	2	122.1485	0.002	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6]CC)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|B<4>}	N[6](C[6]C[6]H)2(BC[6]CC){1|B<4>,1|C<3>,1|H<1>}	121.5935	0.228	2	121.5935	0.052	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6]HH){1|C<3>,2|H<1>}	122.0340	0.069	2	122.0340	0.005	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]2C)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]2C){1|C<3>,2|H<1>}	122.0811	0.354	16	122.0811	0.126	16	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]2H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]2H){1|C<3>,2|H<1>}	121.9847	0.238	4	121.9847	0.057	4	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]2O)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]2O){1|C<3>,2|H<1>}	122.1405	0.292	2	122.1405	0.085	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	120.4405	2.210	2	121.7927	0.494	21	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|N<3>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>,1|N<3>}	121.9351	0.231	19	121.7927	0.494	21	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]CC)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]CC){1|C<3>,2|H<1>}	122.2051	0.480	10	122.2051	0.230	10	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]CH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]CH){1|C<3>,2|H<1>}	122.3635	0.122	2	122.3635	0.015	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]CN)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]CN){1|C<3>,2|H<1>}	122.5575	0.081	2	122.5575	0.007	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]HH){1|C<3>,2|H<1>}	121.6615	0.590	2	121.6615	0.349	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]NN)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]NN){1|C<3>,2|H<1>}	121.2360	0.239	2	121.2360	0.057	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BN[6]2H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BN[6]2H){1|C<3>,2|H<1>}	121.3718	0.920	6	121.3718	0.847	6	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BO3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BO3){1|C<3>,2|H<1>}	122.0445	0.641	10	122.0445	0.411	10	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Ru)(C[6]C[6]H)(BCoRuH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Ru)(C[6]C[6]H)(BCoRuH){1|C<3>,2|H<1>}	121.4880	0.000	1	121.4880	0.000	1	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C){2|H<1>,3|C<3>}	122.8800	0.000	1	122.8800	0.000	1	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F){2|H<1>,3|C<3>}	122.3270	0.000	1	122.3270	0.000	1	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]3){1|N<2>,2|C<3>,2|H<1>}	124.1340	0.000	1	124.1340	0.000	1	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[5]CH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[5]CH){1|C<3>,2|H<1>}	123.7140	0.161	2	123.7140	0.026	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]2O)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]2O){1|C<3>,2|H<1>}	123.5410	0.252	2	123.5410	0.063	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	124.1445	0.022	2	124.1445	0.000	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]BF)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]BF){1|C<3>,2|H<1>}	123.4808	0.272	4	123.4808	0.074	4	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]HH){1|C<3>,2|H<1>}	123.8320	0.080	3	123.8320	0.006	3	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BC[6a]HO)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]HO){1|C<3>,2|H<1>}	123.4350	0.058	2	123.4350	0.003	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BHHN)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	123.6095	0.249	6	123.6095	0.062	6	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BN[5]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BN[5]3){1|C<3>,2|H<1>}	123.5970	0.416	2	123.5970	0.173	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BO3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BO3){1|C<3>,2|H<1>}	123.2460	0.086	2	123.2460	0.007	2	122.3754	0.701	181	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	120.6310	0.341	2	120.6310	0.116	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	120.5810	0.079	4	120.8245	0.148	6	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	121.3115	0.098	2	120.8245	0.148	6	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	120.8313	0.451	26	120.7335	0.394	31	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	120.3735	1.258	4	120.7335	0.394	31	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|C<4>,2|N<3>}	N[6](C[6]C[6]H)2(CH3){1|Ir<8>,1|C<3>,1|H<1>}	119.6280	0.000	1	120.7335	0.394	31	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	121.1845	0.681	2	121.1845	0.464	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	120.9770	0.723	4	120.9770	0.523	4	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CCCH){1|C<3>,2|H<1>}	120.6296	1.243	10	120.6296	1.545	10	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	120.9606	0.977	177	120.9606	0.954	177	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[5a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CC[5a]HH){1|C<3>,2|H<1>}	121.3420	0.071	2	121.3420	0.005	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|H<1>}	120.4781	0.315	8	120.4781	0.099	8	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]2H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CC[6a]2H){1|C<3>,2|H<1>}	120.8790	0.330	2	120.8790	0.109	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>}	120.8950	0.000	1	120.6645	0.658	217	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	120.6634	0.813	216	120.6645	0.658	217	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	120.8986	1.057	267	120.8876	1.112	271	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|Ir<6>,1|C<3>,1|H<1>}	120.1495	0.436	4	120.8876	1.112	271	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CN[6]HH){1|C<3>,2|H<1>}	120.4511	0.941	20	120.4511	0.886	20	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	121.1606	0.461	5	121.2317	0.201	6	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	121.5870	0.000	1	121.2317	0.201	6	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	121.5415	0.333	2	121.5415	0.111	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	122.9180	0.000	1	122.0880	1.378	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	121.2580	0.000	1	122.0880	1.378	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCCH){1|C<3>,2|H<1>}	119.5285	1.721	4	120.1380	2.671	6	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCCH){1|C<3>,2|H<1>}	121.3570	0.092	2	120.1380	2.671	6	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	121.3961	1.737	20	120.9221	1.072	107	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	120.7693	0.598	29	120.9221	1.072	107	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	120.8351	0.845	58	120.9221	1.072	107	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	120.7989	1.399	18	120.8411	1.153	83	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	120.9485	1.208	33	120.8411	1.153	83	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	120.8315	0.513	30	120.8411	1.153	83	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	119.5915	1.858	2	120.8411	1.153	83	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	120.6622	0.516	31	120.8497	1.030	343	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|I<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|I<1>}	120.6571	0.291	11	120.8497	1.030	343	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	120.4849	1.638	63	120.8497	1.030	343	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	120.7440	0.358	2	120.8497	1.030	343	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	120.9939	0.812	233	120.8497	1.030	343	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|O<2>}	118.9235	0.043	2	120.8497	1.030	343	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	122.2280	0.000	1	120.8497	1.030	343	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	121.4222	0.304	5	121.4222	0.092	5	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	121.1800	0.263	2	120.8023	0.462	3	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3){3|C<3>,3|H<1>}	120.0470	0.000	1	120.8023	0.462	3	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	121.0770	0.000	1	120.8515	0.333	8	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	121.2425	0.261	2	120.8515	0.333	8	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	121.3910	0.000	1	120.8515	0.333	8	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|C<4>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|Ir<8>,1|H<1>,1|N<2>,2|C<3>}	120.5840	0.000	1	120.8515	0.333	8	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|C<4>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	120.4250	0.707	3	120.8515	0.333	8	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.2733	0.673	4	120.2733	0.452	4	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	121.4590	0.000	1	121.4590	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	121.2387	0.935	3	121.2387	0.873	3	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	114.1310	2.111	3	118.3587	17.231	7	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	121.5295	0.463	4	118.3587	17.231	7	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	121.6650	0.000	1	121.6650	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	121.3970	0.618	2	121.5084	0.130	16	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	121.4856	0.384	10	121.5084	0.130	16	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	121.6213	0.229	4	121.5084	0.130	16	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]RuC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]RuC){1|C<3>,2|H<1>}	120.8650	0.000	1	120.8650	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[5]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	120.7450	0.000	1	120.7450	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	120.8302	0.919	6	120.8302	0.845	6	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	121.0343	0.760	6	121.2561	0.331	38	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	121.1806	0.367	8	121.2561	0.331	38	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	121.0070	0.000	1	121.2561	0.331	38	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	119.4520	0.000	1	121.2561	0.331	38	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	121.4679	0.424	21	121.2561	0.331	38	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	120.7950	0.000	1	121.2561	0.331	38	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	121.0980	0.000	1	121.0980	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	121.0587	0.563	3	121.0587	0.317	3	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]F)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]F)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	120.7700	0.093	2	120.7700	0.009	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	121.8680	0.434	2	121.7051	0.474	8	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	121.6508	0.782	6	121.7051	0.474	8	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH){1|C<3>,2|H<1>}	121.6980	0.000	1	121.6980	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	121.4862	0.364	4	121.5985	0.121	10	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	121.6733	0.350	6	121.5985	0.121	10	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	121.4140	0.140	5	121.1185	0.756	15	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	120.9708	1.046	10	121.1185	0.756	15	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	121.0997	0.315	3	120.8094	0.209	5	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	120.3740	0.069	2	120.8094	0.209	5	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CSiHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CSiHH){1|C<3>,2|H<1>}	121.2810	0.000	1	121.2810	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	121.2660	0.000	1	121.2920	0.001	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<5>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	121.3180	0.000	1	121.2920	0.001	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(CIrHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(CIrHH){1|C<3>,2|H<1>}	121.0590	0.000	1	121.0590	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3){1|C<3>,2|H<1>}	121.9677	0.545	4	120.2951	3.716	9	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3){1|C<3>,1|H<1>,1|O<2>}	118.9570	1.474	5	120.2951	3.716	9	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCCH){1|C<3>,2|H<1>}	120.3197	0.453	6	120.1787	0.310	7	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]H)2(CCCH){1|C<3>,1|H<1>,1|N<3>}	119.3330	0.000	1	120.1787	0.310	7	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<3>,1|H<1>}	120.3773	0.456	3	120.3399	0.473	302	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|F<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|F<1>,1|H<1>}	120.2320	0.000	1	120.3399	0.473	302	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	120.3624	0.705	264	120.3399	0.473	302	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	119.2320	0.397	2	120.3399	0.473	302	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	119.5595	0.328	6	120.3399	0.473	302	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	120.2980	0.704	3	120.3399	0.473	302	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<3>}	120.3610	0.343	21	120.3399	0.473	302	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	120.6510	0.728	2	120.3399	0.473	302	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[5]CH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[5]CH){1|C<3>,2|H<1>}	120.2260	0.038	2	120.2260	0.001	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[5]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[5]HH){1|C<3>,2|H<1>}	120.3607	0.527	12	120.3607	0.278	12	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[5a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[5a]HH){1|C<3>,2|H<1>}	119.8050	0.143	2	119.8050	0.020	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|H<1>}	120.1995	0.559	8	120.1995	0.313	8	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]3){1|C<3>,2|H<1>}	121.1020	1.607	2	121.1020	2.581	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]CH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	120.4530	0.492	2	120.4530	0.242	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]FF)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]FF){1|C<3>,2|H<1>}	119.7115	0.227	2	119.7115	0.052	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	120.3410	0.800	4	120.4618	0.857	283	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	120.5804	0.909	236	120.4618	0.857	283	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|I<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|I<1>}	119.9790	0.648	12	120.4618	0.857	283	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	119.2320	0.492	2	120.4618	0.857	283	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	119.4865	0.310	6	120.4618	0.857	283	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	119.5853	1.120	11	120.4618	0.857	283	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	120.1478	0.518	12	120.4618	0.857	283	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(CH3){1|B<3>,1|C<3>,1|H<1>}	120.2830	0.000	1	119.9827	0.445	116	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(CH3){1|Br<1>,1|C<3>,1|H<1>}	119.8494	0.335	11	119.9827	0.445	116	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(CH3){1|C<2>,1|C<3>,1|H<1>}	120.5438	0.407	5	119.9827	0.445	116	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	120.0644	0.646	46	119.9827	0.445	116	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|I<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|I<1>}	120.1557	1.127	12	119.9827	0.445	116	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<2>}	119.4160	0.000	1	119.9827	0.445	116	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.5385	0.336	19	119.9827	0.445	116	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|O<2>}	119.9180	0.683	4	119.9827	0.445	116	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	120.0213	0.186	4	119.9827	0.445	116	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	120.1116	0.767	10	119.9827	0.445	116	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(CH3){1|Cl<1>,1|C<3>,1|H<1>}	119.8680	0.000	1	119.9827	0.445	116	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(CH3){1|Ni<4>,1|C<3>,1|H<1>}	119.5260	0.000	1	119.9827	0.445	116	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(CH3){1|Pd<4>,1|C<3>,1|H<1>}	120.9030	0.000	1	119.9827	0.445	116	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CHHN){1|C<3>,2|H<1>}	118.0031	1.335	8	118.0031	1.781	8	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CN[5]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CN[5]HH){1|C<3>,2|H<1>}	120.0555	0.292	2	120.0555	0.085	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(CN[6]HH){1|C<3>,1|H<1>}	120.2893	0.713	4	119.9946	0.314	30	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CN[6]HH){1|C<3>,2|H<1>}	119.9493	0.536	26	119.9946	0.314	30	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CPdCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CPdCH){1|C<3>,2|H<1>}	120.7720	0.429	2	120.7720	0.184	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CReHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CReHH){1|C<3>,2|H<1>}	120.7410	0.270	2	120.7410	0.073	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CSeHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CSeHH){1|C<3>,2|H<1>}	120.0430	0.165	2	120.0430	0.027	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Ir)(C[6]C[6]H)(CCHO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Ir)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	120.5540	0.000	1	120.5540	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Ir)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	121.2810	0.000	1	121.2810	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	121.7990	1.172	2	121.7990	1.374	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]Pd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.0120	0.000	1	121.2317	1.446	3	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]Pd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	121.8415	0.812	2	121.2317	1.446	3	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCFF)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCFF){1|C<3>,2|H<1>}	119.4070	0.000	1	119.4070	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCFH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCFH){1|C<3>,2|H<1>}	120.0330	0.000	1	120.0330	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	121.4090	0.000	1	121.4090	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	121.1780	0.000	1	121.1780	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	121.2917	0.686	4	121.2917	0.471	4	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]Ir)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ir)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	121.8880	0.000	1	121.8880	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]Ir)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ir)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.4020	0.000	1	120.0982	6.191	5	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]Ir)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ir)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	120.0222	2.866	4	120.0982	6.191	5	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	122.0079	0.570	40	121.9834	0.342	41	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	121.0030	0.000	1	121.9834	0.342	41	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	121.6968	0.197	4	121.9324	0.991	68	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	121.9472	1.024	64	121.9324	0.991	68	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	121.6465	0.725	8	121.5425	0.307	43	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	121.5178	0.489	32	121.5425	0.307	43	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.5820	0.000	1	121.5425	0.307	43	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|S<4>}	122.0015	0.586	2	121.5425	0.307	43	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	121.1210	0.133	2	121.1210	0.018	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){2|C<3>,3|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	121.9780	0.000	1	121.9780	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|Rh<6>,1|C<4>,3|C<3>}	N[6](C[6]C[6]H)2(CH3){1|Rh<6>,1|C<3>,1|H<1>}	121.5540	0.000	1	121.5540	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	122.2505	0.318	4	122.2505	0.101	4	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]Ni)(C[6]N[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Cl<1>,1|Ni<4>,1|C<3>}	C[6](C[6]C[6]Ni)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	121.2670	0.000	1	121.2670	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	121.4257	0.341	3	121.4257	0.116	3	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	122.4670	0.000	1	122.4670	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	121.6873	0.215	4	121.6873	0.046	4	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	120.3070	0.371	2	120.3070	0.137	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]Pd)(C[6]N[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Cl<1>,1|Pd<4>,1|C<3>}	C[6](C[6]C[6]Pd)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	121.1600	0.000	1	121.1600	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	120.7964	0.144	5	121.0610	0.304	7	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<3>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	121.7225	0.719	2	121.0610	0.304	7	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	120.8011	0.318	8	120.8011	0.101	8	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	121.6655	0.208	4	121.6655	0.043	4	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	120.3957	0.514	6	121.0436	0.604	68	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	121.1792	0.309	4	121.0436	0.604	68	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	121.1012	0.796	58	121.0436	0.604	68	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	120.5312	0.377	12	120.7368	0.232	82	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	120.6453	0.263	4	120.7368	0.232	82	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	120.7797	0.502	66	120.7368	0.232	82	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	120.4572	0.928	10	120.6461	2.055	66	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	120.8713	0.463	8	120.6461	2.055	66	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	120.6479	1.621	48	120.6461	2.055	66	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(CHHP)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]N)(CHHP){1|C<3>,1|H<1>}	121.5890	0.045	2	121.5890	0.002	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,2|H<1>}	122.7645	0.478	6	122.7946	0.197	7	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|Zn<4>,1|C<3>,1|H<1>}	122.9750	0.000	1	122.7946	0.197	7	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	122.7045	0.204	2	122.0086	0.790	15	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	122.0320	0.000	1	122.0086	0.790	15	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	122.7990	0.456	3	122.0086	0.790	15	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	121.1610	0.607	2	122.0086	0.790	15	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	121.7415	1.029	6	122.0086	0.790	15	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Re<6>,1|C<3>,1|H<1>}	121.5200	0.000	1	122.0086	0.790	15	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>}	122.7310	0.000	1	122.7310	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CC[5a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CC[5a]HH){1|C<3>,1|H<1>}	121.9860	0.000	1	121.9860	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|H<1>,1|N<2>}	C[6](C[6]N[6]H)2(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|C<3>,1|H<1>}	119.5450	0.000	1	119.5450	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,2|H<1>}	C[6](C[6]N[6]H)2(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,1|H<1>}	119.4730	0.000	1	119.4730	0.000	1	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)2(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)2(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|C<3>,1|H<1>}	120.7870	0.519	2	120.7870	0.269	2	120.7628	1.057	2695	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(PN[6]OO)	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]H)2(PN[6]OO){1|C<3>,2|H<1>}	120.4827	0.290	4	120.4827	0.084	4	121.8629	0.873	40	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(PS3)	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]H)2(PS3){1|C<3>,2|H<1>}	121.1513	0.841	12	121.1513	0.707	12	121.8629	0.873	40	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(PCCS)	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]H)2(PCCS){1|C<3>,2|H<1>}	122.1848	0.256	4	122.1848	0.066	4	121.8629	0.873	40	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(PC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]H)2(PC[6a]OO){1|C<3>,2|H<1>}	122.7850	0.438	6	122.7850	0.192	6	121.8629	0.873	40	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(PN[6]OO)	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]H)2(PN[6]OO){1|C<3>,2|H<1>}	122.2635	0.435	8	122.2635	0.189	8	121.8629	0.873	40	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(PN[6]SS)	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]H)2(PN[6]SS){1|C<3>,2|H<1>}	122.5357	0.249	6	122.5357	0.062	6	121.8629	0.873	40	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	N[6](C[6]C[6]H)(C[6]C[6]N)(SC[6a]OO){1|C<3>,2|H<1>}	120.9420	0.000	1	120.9420	0.000	1	121.0283	0.072	3	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(SCOO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	N[6](C[6]C[6]H)2(SCOO){1|C<3>,2|H<1>}	121.0715	0.364	2	121.0715	0.133	2	121.0283	0.072	3	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(I)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|I<1>}	120.7182	0.489	11	120.7182	0.239	11	120.3384	0.572	53	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|I<1>}	123.2980	0.000	1	123.2980	0.000	1	120.3384	0.572	53	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>,1|I<1>}	121.1190	0.000	1	121.1190	0.000	1	120.3384	0.572	53	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|I<1>}	120.0979	0.572	12	120.0979	0.328	12	120.3384	0.572	53	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|I<1>}	120.2690	0.655	12	120.1586	0.416	28	120.3384	0.572	53	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|I<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|I<1>}	120.0759	0.645	16	120.1586	0.416	28	120.3384	0.572	53	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BN3)	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BN3){1|N<3>,2|H<1>}	120.5660	0.219	2	120.5660	0.048	2	120.5660	0.048	2	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,2|H<1>}	121.2210	0.000	1	121.2210	0.000	1	120.1614	0.924	8	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	121.9720	0.000	1	121.9720	0.000	1	120.1614	0.924	8	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	119.8200	0.744	2	119.8200	0.553	2	120.1614	0.924	8	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	119.5815	0.028	2	119.5815	0.001	2	120.1614	0.924	8	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>}	119.8440	0.000	1	119.8440	0.000	1	120.1614	0.924	8	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	119.4510	0.000	1	119.4510	0.000	1	120.1614	0.924	8	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	N[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[4,6]H)(N[6]C[6]C)(H)	C[6](N[4,6]C[4,6]C[4])(C[6]N[6]H)(H)	N[6](C[6]C[4,6]O)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]N[4,6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](N[4,6]C[4,6]C[4])(C[6]N[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6]C[4,6]O)(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	122.3780	0.000	1	122.3780	0.000	1	122.3780	0.000	1	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]H)(N[6]C[6]C)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]H)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]N[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]H)(H){1|C<4>,1|O<1>,4|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	120.9570	0.000	1	120.9570	0.000	1	120.9570	0.000	1	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](N[6]B[5,6]C)(C[6]N[6]H)(H)	N[6](C[6]B[5,6]B[5])(C[6]C[6]H)(CCCH)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<4>,2|B<4>}	C[6](N[6]B[5,6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,2|O<2>}	N[6](C[6]B[5,6]B[5])(C[6]C[6]H)(CCCH){1|C<3>,1|H<1>,1|N<3>,4|O<2>}	120.9345	0.513	2	120.9345	0.263	2	120.9345	0.263	2	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(I)	C[6](C[6]C[6]H)(C[6]N[6]I)(H)	N[6](C[6]C[6]H)(C[6]C[6]I)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]I)(H){1|Br<1>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]C[6]I)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	118.8040	0.000	1	118.8040	0.000	1	118.8040	0.000	1	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]O)(N[6]C[6]C)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[5a,6]O)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|N<3>,1|O<1>}	119.3400	0.000	1	119.3400	0.000	1	119.3400	0.000	1	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	116.4125	0.220	2	116.4125	0.048	2	116.6950	0.169	6	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(H)	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|N<3>,1|O<2>,1|S<1>}	C[6](C[6]N[6]O)2(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	116.8363	0.431	4	116.8363	0.186	4	116.6950	0.169	6	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|O<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,3|C<4>}	N[6](C[6]C[6]O)2(CCHH){1|N<3>,1|O<1>,2|C<4>}	118.6170	0.000	1	118.6170	0.000	1	117.8648	0.253	6	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|O<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.7144	0.382	5	117.7144	0.146	5	117.8648	0.253	6	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:O-1:	N[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(O)	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]N[6]O)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	118.6310	0.000	1	118.6310	0.000	1	118.1017	0.211	3	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:O-1:	N[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(O){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	117.8370	0.051	2	117.8370	0.003	2	118.1017	0.211	3	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:O-1:	N[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]O)(N[6]C[6]C)(O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3)	C[6](C[6]N[5a,6]O)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]O)(O){1|C<4>,4|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	118.8905	0.371	2	118.8905	0.138	2	118.8905	0.138	2	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-4:	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCHH)	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	121.8545	0.272	2	121.8545	0.074	2	121.8545	0.074	2	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:B-4:	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BH3)	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|B<4>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BH3){1|Rh<5>,1|H<1>,3|C<3>}	123.3440	0.000	1	123.3440	0.000	1	123.3440	0.000	1	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[6](N[6]C[5a,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(CH3)	C[6](N[6]C[5a,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.9170	0.000	1	121.9170	0.000	1	121.9170	0.000	1	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	120.4335	0.053	4	120.4335	0.003	4	120.4335	0.003	4	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:B-4:	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BC[6a]3)	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|B<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	124.0100	0.000	1	124.0100	0.000	1	124.4345	0.831	4	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:B-4:	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BN3)	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|B<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BN3){2|H<1>,3|C<3>}	123.3660	0.000	1	123.3660	0.000	1	124.4345	0.831	4	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:B-4:	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(BC[6a]3)	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|B<4>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(BC[6a]3){1|H<1>,1|N<2>,3|C<3>}	125.1810	0.239	2	125.1810	0.057	2	124.4345	0.831	4	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	122.7088	0.226	5	122.7088	0.051	5	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	121.6748	0.677	5	121.9476	0.454	8	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	122.4023	0.418	3	121.9476	0.454	8	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[4])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C[4])(C[6]N[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	122.1180	0.000	1	122.1180	0.000	1	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	121.9400	0.000	1	121.9400	0.000	1	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	121.3280	0.180	2	121.3280	0.032	2	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	122.2060	0.486	16	122.2060	0.237	16	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	122.2883	0.862	6	122.0001	0.773	23	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	121.8984	0.888	17	122.0001	0.773	23	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	122.6140	0.000	1	122.2553	0.371	16	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	122.4823	0.177	3	122.2553	0.371	16	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	122.1687	0.683	12	122.2553	0.371	16	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	122.8945	0.237	2	122.8945	0.056	2	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	122.5030	0.000	1	122.5030	0.000	1	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]Ir)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|Ir<8>,2|C<3>}	C[6](C[6]C[6,6a]Ir)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	122.9750	0.000	1	122.9750	0.000	1	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]Os)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|Os<6>,2|C<3>}	C[6](C[6]C[6,6a]Os)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	123.2734	1.780	8	123.2734	3.167	8	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]Pd)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|Pd<4>,2|C<3>}	C[6](C[6]C[6,6a]Pd)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	121.6300	0.000	1	121.6300	0.000	1	122.2624	0.798	85	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(GaCl3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(GaCl3){1|C<3>,2|H<1>}	121.8942	0.200	4	121.8942	0.040	4	122.0225	0.392	26	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(GaBr3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(GaBr3){1|C<3>,2|H<1>}	121.9940	0.519	6	121.9940	0.270	6	122.0225	0.392	26	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(GaCCO)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(GaCCO){1|C<3>,2|H<1>}	122.6185	0.518	2	122.6185	0.269	2	122.0225	0.392	26	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(GaCl2H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|H<1>}	121.8360	0.795	2	121.8360	0.632	2	122.0225	0.392	26	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(GaBr3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(GaBr3){1|C<3>,2|H<1>}	121.3965	0.005	2	121.3965	0.000	2	122.0225	0.392	26	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(GaCl2H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|H<1>}	121.7672	0.368	4	121.7672	0.135	4	122.0225	0.392	26	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(GaCl3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(GaCl3){1|C<3>,2|H<1>}	121.7070	0.453	2	121.7070	0.205	2	122.0225	0.392	26	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(GaI3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(GaI3){1|C<3>,2|H<1>}	121.8895	0.269	2	121.8895	0.073	2	122.0225	0.392	26	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(GaCl2H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|H<1>}	123.5405	0.040	2	123.5405	0.002	2	122.0225	0.392	26	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-4:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(InCCO)	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(InCCO){1|C<3>,2|H<1>}	122.9890	0.000	1	122.9890	0.000	1	122.8093	1.709	8	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-4:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(InN3)	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(InN3){1|C<3>,2|H<1>}	121.3120	0.000	1	121.3120	0.000	1	122.8093	1.709	8	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-4:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(InBr3)	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(InBr3){1|C<3>,2|H<1>}	122.1145	0.110	2	122.1145	0.012	2	122.8093	1.709	8	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-4:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(InClWW)	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(InClWW){1|C<3>,2|H<1>}	122.7510	2.160	2	122.7510	4.663	2	122.8093	1.709	8	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-4:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(InC[6a]3)	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(InC[6a]3){1|C<3>,2|H<1>}	124.2210	0.228	2	124.2210	0.052	2	122.8093	1.709	8	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(SiBrCH)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(SiBrCH){1|C<3>,1|C<4>,1|H<1>}	122.3230	0.000	1	122.1580	0.032	3	123.1838	2.870	11	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(SiBrCH)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(SiBrCH){1|C<3>,2|H<1>}	122.0755	0.149	2	122.1580	0.032	3	123.1838	2.870	11	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(SiC3)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(SiC3){1|C<3>,2|H<1>}	121.3010	0.240	2	121.3010	0.058	2	123.1838	2.870	11	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(SiCCW)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(SiCCW){1|C<3>,2|H<1>}	124.7715	1.634	4	124.7715	2.670	4	123.1838	2.870	11	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(SiSi2N)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(SiSi2N){1|C<3>,2|H<1>}	123.4300	0.337	2	123.4300	0.113	2	123.1838	2.870	11	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(GaCl3)	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(GaCl3){1|N<3>,2|H<1>}	120.5905	0.540	2	120.5905	0.291	2	120.5905	0.291	2	120.9072	1.352	3273	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:5:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-5:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BCuH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BCuH3){1|C<3>,2|H<1>}	122.6287	0.344	3	122.6287	0.118	3	122.6840	0.307	7	122.5092	0.742	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:5:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-5:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BIrH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BIrH3){1|C<3>,2|H<1>}	123.0740	0.000	1	123.0740	0.000	1	122.6840	0.307	7	122.5092	0.742	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:5:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-5:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BMnH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BMnH3){1|C<3>,2|H<1>}	121.8000	0.000	1	121.8000	0.000	1	122.6840	0.307	7	122.5092	0.742	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:5:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-5:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BRhH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BRhH3){1|C<3>,2|H<1>}	123.4840	0.000	1	123.4840	0.000	1	122.6840	0.307	7	122.5092	0.742	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:5:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-5:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BRuH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BRuH3){1|C<3>,2|H<1>}	122.5440	0.000	1	122.5440	0.000	1	122.6840	0.307	7	122.5092	0.742	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:5:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-5:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CFe3C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	N[6](C[6]C[6]H)2(CFe3C){1|C<3>,2|H<1>}	122.0950	1.459	4	122.0950	2.129	4	122.0950	2.129	4	122.5092	0.742	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:5:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:B-5:	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BRhH3)	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|B<5>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BRhH3){1|H<1>,3|C<3>}	121.8460	0.000	1	121.8460	0.000	1	121.8460	0.000	1	122.5092	0.742	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:5:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-5:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(InCl3O)	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(InCl3O){1|N<2>,2|C<3>,2|H<1>}	123.3290	0.000	1	123.3290	0.000	1	123.3290	0.000	1	122.5092	0.742	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:5:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Nb-5:	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(NbO4)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(NbO4){1|C<3>,2|H<1>}	122.6475	0.332	2	122.6475	0.110	2	122.6475	0.110	2	122.5092	0.742	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:6:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-6:	C[6](C[6]C[6,6a]H)(N[6]C[6]Ga)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4)	C[6](C[6]C[6,6a]H)(N[6]C[6]Ga)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ga<6>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4){1|H<1>,2|C<3>}	122.7253	0.791	3	122.7253	0.626	3	122.7253	0.626	3	122.8465	0.333	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:6:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:As-6:	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(AsN5)	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|As<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(AsN5){1|C<3>,2|H<1>}	122.4735	0.016	2	122.4735	0.000	2	122.4735	0.000	2	122.8465	0.333	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:6:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-6:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(InN[6]N4)	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(InN[6]N4){1|C<3>,2|H<1>}	122.1965	0.162	2	122.1965	0.026	2	122.1965	0.026	2	122.8465	0.333	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:6:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Nb-6:	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(NbCl2NOO)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(NbCl2NOO){1|C<3>,2|H<1>}	123.7735	0.665	2	123.7735	0.443	2	123.1650	0.220	9	122.8465	0.333	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:6:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Nb-6:	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(NbCl3OO)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(NbCl3OO){1|C<3>,2|H<1>}	122.8605	0.257	2	122.8605	0.066	2	123.1650	0.220	9	122.8465	0.333	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:6:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Nb-6:	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(NbCl4O)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(NbCl4O){1|C<3>,2|H<1>}	123.0673	0.286	3	123.0673	0.082	3	123.1650	0.220	9	122.8465	0.333	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:6:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Nb-6:	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(NbClO4)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(NbClO4){1|C<3>,2|H<1>}	123.0075	0.285	2	123.0075	0.081	2	123.1650	0.220	9	122.8465	0.333	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:6:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-6:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(SiF5)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(SiF5){1|C<3>,2|H<1>}	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	122.8465	0.333	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:4:3:	C[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[5]-4:C[6]-3:	C[6](C[6]C[6,6a]O)(N[6]C[5]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(O)	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O)	C[6](C[6]C[6,6a]O)(N[6]C[5]C[6])(O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O){3|O<1>,4|C<3>}	117.1740	0.000	1	117.1740	0.000	1	117.1740	0.000	1	120.9370	5.238	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[6](N[6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H)	C[6](N[6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|O<2>}	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	122.0570	0.000	1	122.0570	0.000	1	122.0570	0.000	1	120.9370	5.238	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:In[4]-4:C[6]-3:	C[6](N[6]C[6,6a]In[4])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[4]Se[4,6]Se[4]Cl)(C[6]C[6]H)	C[6](N[6]C[6,6a]In[4])(C[6]C[6]H)(H){1|Cl<1>,1|Se<2>,1|Se<3>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|In<4>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[4]Se[4,6]Se[4]Cl)(C[6]C[6]H){1|In<4>,1|In<6>,1|H<1>,1|N<2>,3|C<3>}	122.0130	0.000	1	122.0130	0.000	1	122.0130	0.000	1	120.9370	5.238	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:In[6]-4:C[6]-3:	C[6](N[6]C[6,6a]In[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[6]Se[4,6]Se[6]Cl)(C[6]C[6]H)	C[6](N[6]C[6,6a]In[6])(C[6]C[6]H)(H){1|Cl<1>,1|Se<2>,1|Se<3>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|In<4>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[6]Se[4,6]Se[6]Cl)(C[6]C[6]H){1|In<4>,1|In<5>,1|In<6>,1|H<1>,1|N<2>,3|C<3>}	120.4650	0.000	1	120.4650	0.000	1	120.4650	0.000	1	120.9370	5.238	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]O[6])(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(H){1|O<2>,2|F<1>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]N[6]H)(H){1|B<4>,3|C<3>}	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	122.9760	0.000	1	122.9760	0.000	1	122.9760	0.000	1	120.9370	5.238	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:5:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:Si-5:C[6]-3:	C[6](N[6]C[6,6a]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(SiC[6a]Cl3)(C[6]C[6]H)	C[6](N[6]C[6,6a]Si)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Si<5>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(SiC[6a]Cl3)(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	121.9750	0.000	1	121.9750	0.000	1	121.9750	0.000	1	121.9750	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	124.0530	0.000	1	124.0530	0.000	1	124.0530	0.000	1	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]N[6]CaO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Ca<10>,1|O<3>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Ca<10>,1|C<4>,1|H<1>}	N[6](C[6]N[6]CaO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.9670	0.000	1	120.3095	0.235	2	120.3095	0.235	2	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]N[6]CaO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Ca<8>,1|O<3>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Ca<8>,1|C<4>,1|H<1>}	N[6](C[6]N[6]CaO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.6520	0.000	1	120.3095	0.235	2	120.3095	0.235	2	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(Br)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(Br){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){1|Br<1>,2|C<3>}	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	114.6915	0.192	2	114.6915	0.037	2	114.6915	0.037	2	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	S[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]S[6]H)(O)	C[6](C[6]N[6]O)(C[6]O[6]C)(H)	N[6](S[6]O[6]OO)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]S[6]H)(O){1|C<4>,1|O<2>,2|O<1>}	C[6](C[6]N[6]O)(C[6]O[6]C)(H){1|H<1>,1|S<4>}	N[6](S[6]O[6]OO)(C[6]C[6]O)(H){1|C<3>,1|H<1>}	116.6007	0.376	3	116.6007	0.141	3	116.6007	0.141	3	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	118.0850	0.000	1	118.0850	0.000	1	116.6356	0.841	7	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	116.0740	0.000	1	116.0740	0.000	1	116.6356	0.841	7	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<4>,3|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	116.6060	0.962	2	116.5473	0.473	3	116.6356	0.841	7	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<4>,3|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.4300	0.000	1	116.5473	0.473	3	116.6356	0.841	7	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	116.3240	1.212	2	116.3240	1.469	2	116.6356	0.841	7	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H)	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H){1|Cl<1>,1|H<1>,2|C<4>}	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	117.6115	0.023	2	117.5923	0.001	3	117.5923	0.001	3	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H)	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H){1|H<1>,3|C<4>}	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H){1|H<1>,2|C<3>,3|C<4>}	117.5540	0.000	1	117.5923	0.001	3	117.5923	0.001	3	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	N[6](C[6,6]C[6]N[6]2)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6,6]C[6]N[6]2)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	118.0830	0.000	1	118.0830	0.000	1	116.3080	6.301	2	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]N[6,6]C[6a])(C[6]N[6]O)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	114.5330	0.000	1	114.5330	0.000	1	116.3080	6.301	2	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:1:	N[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]N[6]O)(O)	C[6](N[6]C[6,6]H)(C[6]N[6]O)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]N[6]O)(O){2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]N[6]O)(O){2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	115.8950	0.000	1	115.8950	0.000	1	115.8950	0.000	1	117.0555	5.246	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:B[5]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]C[6]H)(B[5]O[5]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]C[6]H)(B[5]O[5]2)(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	121.7625	0.030	2	121.7625	0.001	2	121.7625	0.001	2	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<2>,1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	120.5430	0.000	1	120.5430	0.000	1	121.3295	1.003	12	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	120.8550	0.000	1	120.8550	0.000	1	121.3295	1.003	12	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	123.0360	0.000	1	121.4965	4.740	2	121.3295	1.003	12	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	119.9570	0.000	1	121.4965	4.740	2	121.3295	1.003	12	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>,3|C<3>}	121.3530	0.000	1	121.3530	0.000	1	121.3295	1.003	12	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Br<1>,1|C<4>,3|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	121.7440	0.109	2	121.1787	0.965	3	121.3295	1.003	12	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	120.0480	0.000	1	121.1787	0.965	3	121.3295	1.003	12	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(CCO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>,3|C<3>}	120.7250	0.000	1	120.7250	0.000	1	121.3295	1.003	12	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	122.6750	0.000	1	122.6750	0.000	1	121.3295	1.003	12	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	121.6370	1.013	2	121.6370	1.025	2	121.3295	1.003	12	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	120.9420	0.000	1	120.9420	0.000	1	120.9420	0.000	1	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(Br)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(Br){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	119.9590	0.000	1	119.9590	0.000	1	119.9590	0.000	1	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](BC[6]N[6]H)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](BC[6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	122.5294	0.511	8	122.5294	0.261	8	122.4067	0.483	50	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](BC[5a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](BC[5a]C[6a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	122.1160	0.081	2	122.1160	0.006	2	122.4067	0.483	50	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](BC[6a]2B[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](BC[6a]2B[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	122.3580	0.448	2	122.3580	0.201	2	122.4067	0.483	50	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](BC[6a]2C[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	122.3131	0.396	8	122.3131	0.157	8	122.4067	0.483	50	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](BC[6a]2Cl)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](BC[6a]2Cl)(C[6]C[6]H)2{1|C<3>,2|H<1>}	122.0809	0.402	8	122.0809	0.161	8	122.4067	0.483	50	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](BC[6a]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](BC[6a]C[5]2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	121.4680	0.038	2	121.4680	0.001	2	122.4067	0.483	50	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](BC[6a]C[5]C)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](BC[6a]C[5]C)(C[6]C[6]H)2{1|C<3>,2|H<1>}	122.1335	0.197	2	122.1335	0.039	2	122.4067	0.483	50	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](BC[6a]ClC)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](BC[6a]ClC)(C[6]C[6]H)2{1|C<3>,2|H<1>}	121.9350	0.229	10	121.9350	0.052	10	122.4067	0.483	50	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](BB[4x3,3x5,12x6]N[6]H)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](BB[4x3,3x5,12x6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	123.4453	0.117	4	123.4453	0.014	4	122.4067	0.483	50	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](BC[6a]2C[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	123.8705	0.173	2	123.8705	0.030	2	122.4067	0.483	50	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](BC[6a]2N[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](BC[6a]2N[5a])(C[6]C[6]H)2{1|C<3>,2|H<1>}	123.9635	0.088	2	123.9635	0.008	2	122.4067	0.483	50	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](CB[3x3,3x5,12x6]HH)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](CB[3x3,3x5,12x6]HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	120.8075	0.114	2	120.8075	0.013	2	119.9343	0.991	18	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](CC[3x3,3x5,12x6]HH)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](CC[3x3,3x5,12x6]HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	120.5230	0.339	6	120.5230	0.115	6	119.9343	0.991	18	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](CC[6a]C[5]H)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](CC[6a]C[5]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	120.7075	1.136	2	120.7075	1.291	2	119.9343	0.991	18	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](CN[3x6]HH)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](CN[3x6]HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	119.0812	0.788	8	119.0812	0.621	8	119.9343	0.991	18	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(BC[6a]2){2|H<1>,3|C<3>}	122.7790	0.000	1	122.7790	0.000	1	122.7790	0.000	1	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	121.6530	0.000	1	121.6530	0.000	1	121.9447	3.474	6	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC){2|H<1>,3|C<3>}	121.6460	0.000	1	121.6460	0.000	1	121.9447	3.474	6	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,3|H<1>}	124.9340	0.000	1	124.9340	0.000	1	121.9447	3.474	6	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>}	123.2010	0.000	1	123.2010	0.000	1	121.9447	3.474	6	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O){2|H<1>,3|C<3>}	120.1170	0.048	2	120.1170	0.002	2	121.9447	3.474	6	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]B[5x3,5x5,21x6]C[6]H)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]B[5x3,5x5,21x6]C[6]H)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|C<6>,4|B<6>,4|H<1>}	120.7385	0.944	2	120.7385	0.891	2	120.8808	0.728	6	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]2H)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]H)2{1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	120.1365	0.115	2	120.1365	0.013	2	120.8808	0.728	6	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]2H)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	121.7675	0.120	2	121.7675	0.014	2	120.8808	0.728	6	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](PC[6a]Se2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](PC[6a]Se2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	121.0915	0.565	2	121.0915	0.319	2	121.0915	0.319	2	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(I)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]H)(I){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,1|I<1>,2|H<1>}	122.6540	0.413	2	122.6540	0.171	2	122.6540	0.171	2	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	119.5420	0.458	2	119.5420	0.210	2	119.1730	0.513	3	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	118.4350	0.000	1	118.4350	0.000	1	119.1730	0.513	3	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]H)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){1|C<3>,3|H<1>}	117.0480	0.000	1	117.0480	0.000	1	117.0030	0.433	4	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]O)(C[6]N[6]O)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,3|H<1>}	117.3880	0.580	2	117.3880	0.336	2	117.0030	0.433	4	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,3|H<1>}	116.1880	0.000	1	116.1880	0.000	1	117.0030	0.433	4	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CNO)	C[6](C[6]N[6]O)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CNO){1|N<3>,1|O<1>,2|H<1>}	118.3040	0.000	1	118.3040	0.000	1	118.3040	0.000	1	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	113.0230	0.000	1	113.0230	0.000	1	113.0230	0.000	1	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]F)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(F)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]F)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(F){1|C<3>,1|C<4>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	122.7100	0.000	1	122.7100	0.000	1	122.7100	0.000	1	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3a]-4:C[6]-3:C[6]-3:	C[6](N[6]B[3a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](B[3a]C[3a]2C[6a])(C[6]C[6]H)2	C[6](N[6]B[3a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[3a]C[3a]2C[6a])(C[6]C[6]H)2{2|H<1>,5|C<3>}	123.7190	0.034	2	123.7190	0.001	2	123.7190	0.001	2	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3x6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3x6]C[3x6]C[6,6]2)(C[6]C[6]H)2	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[3x6]C[3x6]C[6,6]2)(C[6]C[6]H)2{1|C<3>,5|C<4>,6|H<1>}	122.5750	0.346	2	122.5750	0.120	2	122.2814	0.461	10	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3x6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{1|C<3>,3|C<4>,8|H<1>}	122.2145	0.131	2	121.8850	0.118	6	122.2814	0.461	10	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3x6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{1|C<2>,1|C<4>,3|C<3>,5|H<1>}	121.6065	0.302	2	121.8850	0.118	6	122.2814	0.461	10	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3x6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{4|H<1>,5|C<3>}	121.8340	0.320	2	121.8850	0.118	6	122.2814	0.461	10	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3x6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](B[3x6]C[6,6,6a]C[6,6]2)(C[6]C[6]H)2	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[3x6]C[6,6,6a]C[6,6]2)(C[6]C[6]H)2{4|H<1>,5|C<3>}	123.1770	0.849	2	123.1770	0.720	2	122.2814	0.461	10	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3x6a]-4:C[6]-3:C[6]-3:	C[6](N[6]B[3x6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](B[3x6a]C[3x6a]3)(C[6]C[6]H)2	C[6](N[6]B[3x6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[3x6a]C[3x6a]3)(C[6]C[6]H)2{2|H<1>,7|C<3>}	123.3995	0.151	4	123.3995	0.023	4	123.3995	0.023	4	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2{2|H<1>,5|C<3>}	122.2325	0.366	2	122.2325	0.134	2	122.2119	0.433	33	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](B[5]C[5]2Cl)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5]C[5]2Cl)(C[6]C[6]H)2{2|H<1>,5|C<3>}	121.9485	0.289	2	121.9485	0.084	2	122.2119	0.433	33	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](B[5]C[5]2N[6])(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5]C[5]2N[6])(C[6]C[6]H)2{2|H<1>,7|C<3>}	122.1700	0.270	2	122.1700	0.073	2	122.2119	0.433	33	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[5]C[5,6a]2C[6a])(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5]C[5,6a]2C[6a])(C[6]C[6]H)2{2|H<1>,7|C<3>}	122.2323	0.359	6	122.2323	0.129	6	122.2119	0.433	33	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2{2|H<1>,5|C<3>}	121.9419	0.370	8	121.9419	0.137	8	122.2119	0.433	33	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>,4|C<3>}	123.2550	0.000	1	123.2550	0.000	1	122.2119	0.433	33	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	122.0495	0.852	2	122.0445	0.285	4	122.2119	0.433	33	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2{2|Si<4>,2|H<1>,5|C<3>}	122.0395	0.357	2	122.0445	0.285	4	122.2119	0.433	33	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[5]N[6]O[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5]N[6]O[5]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	121.5327	0.586	4	121.5327	0.343	4	122.2119	0.433	33	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](B[5]C[5]3)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5]C[5]3)(C[6]C[6]H)2{1|Mn<8>,2|C<4>,2|H<1>,5|C<3>}	123.5100	0.332	2	123.5100	0.110	2	122.2119	0.433	33	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](B[5]C[5a]C[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5]C[5a]C[5]2)(C[6]C[6]H)2{1|S<2>,2|H<1>,6|C<3>}	123.3895	0.209	2	123.3895	0.044	2	122.2119	0.433	33	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5a]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	121.5640	0.141	3	121.9954	0.436	5	121.9191	0.160	15	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5a]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	122.6425	0.555	2	121.9954	0.436	5	121.9191	0.160	15	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5a]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2{2|H<1>,3|C<3>}	121.6960	0.208	4	121.6960	0.043	4	121.9191	0.160	15	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5a]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2{2|H<1>,3|C<3>}	122.0042	0.141	6	122.0042	0.020	6	121.9191	0.160	15	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[6,6]C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6,6]C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	122.4053	0.306	12	122.4053	0.094	12	122.7821	0.604	18	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	124.2895	0.111	2	124.2895	0.012	2	122.7821	0.604	18	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[6,6]C[6,6]2C)(C[6]C[6]H)2	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6,6]C[6,6]2C)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	122.4010	0.151	2	122.4010	0.023	2	122.7821	0.604	18	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](B[6,6]C[6,6]2H)(C[6]C[6]H)2	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6,6]C[6,6]2H)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	123.9170	0.279	2	123.9170	0.078	2	122.7821	0.604	18	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2{2|Fe<10>,2|H<1>,3|C<3>,4|C<4>}	122.5703	0.595	4	122.5703	0.354	4	122.9296	0.887	15	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	122.8510	0.000	1	122.8510	0.000	1	122.9296	0.887	15	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[6]C[6]2Cl)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6]C[6]2Cl)(C[6]C[6]H)2{1|Si<4>,3|C<3>,3|H<1>}	121.7845	0.465	2	121.7845	0.216	2	122.9296	0.887	15	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[6]C[6a]C[6]2)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6]C[6a]C[6]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	121.9760	0.412	2	121.9760	0.169	2	122.9296	0.887	15	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2{2|Fe<10>,2|H<1>,3|C<3>,4|C<4>}	123.7565	0.152	2	123.7565	0.023	2	122.9296	0.887	15	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](B[6]C[6]2H)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6]C[6]2H)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	123.8060	0.031	2	123.8060	0.001	2	122.9296	0.887	15	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](B[6]N[5a,6]2H)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6]N[5a,6]2H)(C[6]C[6]H)2{2|H<1>,5|C<3>}	124.0830	0.649	2	124.0830	0.421	2	122.9296	0.887	15	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6a,6a]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](B[6a,6a]B[6a,6a]O[6a]2)(C[6]C[6]H)2	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6a,6a]B[6a,6a]O[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	122.1508	0.293	4	122.1508	0.086	4	122.2979	0.212	8	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6a,6a]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[6a,6a]C[6a,6a]2C[3x6a])(C[6]C[6]H)2	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6a,6a]C[6a,6a]2C[3x6a])(C[6]C[6]H)2{2|H<1>,7|C<3>}	122.4450	0.592	4	122.4450	0.350	4	122.2979	0.212	8	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6a]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[6a]C[6a]O[6a]2)(C[6]C[6]H)2	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6a]C[6a]O[6a]2)(C[6]C[6]H)2{2|B<3>,2|H<1>,3|C<3>}	121.9775	0.424	2	121.9775	0.179	2	121.4724	0.699	10	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[6a]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[6a]O[6a]2N[6])(C[6]C[6]H)2	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6a]O[6a]2N[6])(C[6]C[6]H)2{2|B<3>,2|H<1>,3|C<3>}	121.3461	0.884	8	121.3461	0.782	8	121.4724	0.699	10	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-3:C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[4]C[4]2C)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[4]C[4]2C)(C[6]C[6]H)2{1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	122.3910	0.093	2	122.3910	0.009	2	122.3910	0.009	2	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]N[5])(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CCO)	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H){1|Fe<10>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]N[5])(C[6]N[6]H)(H){1|Fe<10>,1|C<3>,4|C<4>}	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CCO){1|C<3>,2|C<4>,2|H<1>}	124.6610	0.000	1	124.6610	0.000	1	124.6610	0.000	1	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.5355	0.002	2	119.5355	0.000	2	121.8056	0.817	39	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,1|S<1>,2|C<4>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.6030	0.000	1	121.6030	0.000	1	121.8056	0.817	39	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](C[5]C[5]2H)(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[5]C[5]2H)(C[6]C[6]H)2{1|C<3>,2|C<4>,6|H<1>}	119.6925	0.216	2	119.6925	0.047	2	121.8056	0.817	39	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|B<4>,1|C<3>,1|C<4>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	121.2340	0.000	1	122.0694	0.283	34	121.8056	0.817	39	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	122.0898	0.533	25	122.0694	0.283	34	121.8056	0.817	39	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.4290	0.000	1	122.0694	0.283	34	121.8056	0.817	39	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	121.6835	0.484	2	122.0694	0.283	34	121.8056	0.817	39	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	122.2174	0.516	5	122.0694	0.283	34	121.8056	0.817	39	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga-4:C[6]-3:C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	122.6560	0.000	1	122.6560	0.000	1	122.2817	0.276	3	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga-4:C[6]-3:C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](GaC[6a]Cl2)(C[6]C[6]H)2	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](GaC[6a]Cl2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	122.0945	0.585	2	122.0945	0.342	2	122.2817	0.276	3	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga[3x6]-4:C[6]-3:C[6]-3:	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|S<2>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	121.8370	1.341	2	121.8370	1.797	2	122.1846	1.309	9	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga[3x6]-4:C[6]-3:C[6]-3:	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|S<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	121.8825	1.185	4	121.8825	1.405	4	122.1846	1.309	9	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga[3x6]-4:C[6]-3:C[6]-3:	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|S<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	122.8190	1.150	3	122.8190	1.323	3	122.1846	1.309	9	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga[5]-4:C[6]-3:C[6]-3:	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Ga[5]N[5]2I)(C[6]C[6]H)2	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|I<1>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](Ga[5]N[5]2I)(C[6]C[6]H)2{2|H<1>,5|C<3>}	121.9310	0.281	2	121.9310	0.079	2	122.1301	0.055	8	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga[5]-4:C[6]-3:C[6]-3:	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Ga[5]N[5]2P)(C[6]C[6]H)2	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|P<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](Ga[5]N[5]2P)(C[6]C[6]H)2{2|H<1>,5|C<3>}	122.1965	0.201	6	122.1965	0.040	6	122.1301	0.055	8	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6]Ga[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](Ga[6,6]S[6,6]S[6]2)(C[6]C[6]H)2	C[6](N[6]Ga[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|S<2>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](Ga[6,6]S[6,6]S[6]2)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	123.5195	0.681	2	123.5195	0.464	2	123.5195	0.464	2	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6]-3:C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|H<1>}	122.2030	0.521	6	122.2030	0.271	6	122.6191	0.720	14	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6]-3:C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Ga[6]C[6]2Cl)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](Ga[6]C[6]2Cl)(C[6]C[6]H)2{2|Si<4>,2|H<1>,3|C<3>}	122.2975	0.303	2	122.2975	0.092	2	122.6191	0.720	14	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6]-3:C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Ga[6]N[6]2P)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|P<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](Ga[6]N[6]2P)(C[6]C[6]H)2{2|H<1>,5|C<3>}	122.4195	0.187	2	122.4195	0.035	2	122.6191	0.720	14	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6]-3:C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](Ga[6]N[6]S[6]2)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<3>,2|S<2>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](Ga[6]N[6]S[6]2)(C[6]C[6]H)2{2|Ga<4>,2|H<1>,3|C<3>}	123.5037	1.067	4	123.5037	1.138	4	122.6191	0.720	14	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ge[4,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H)	N[6](Ge[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(H){2|As<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Ge<4>,1|H<1>,2|C<4>,4|C<3>}	126.1280	0.449	4	126.1280	0.201	4	126.1280	0.201	4	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	In-4:C[6]-3:C[6]-3:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](InC[6a]II)(C[6]C[6]H)2	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	N[6](InC[6a]II)(C[6]C[6]H)2{1|C<3>,2|H<1>}	121.3125	1.265	2	121.3125	1.600	2	121.3125	1.600	2	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	In[6]-4:C[6]-3:C[6]-3:	C[6](N[6]In[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](In[6]C[6]2C)(C[6]C[6]H)2	C[6](N[6]In[6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	N[6](In[6]C[6]2C)(C[6]C[6]H)2{2|Si<4>,2|H<1>,3|C<3>}	122.8925	0.381	2	122.8925	0.145	2	122.8925	0.145	2	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](SiC[6a]2W)(C[6]C[6]H)(C[6]C[6]S)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](SiC[6a]2W)(C[6]C[6]H)(C[6]C[6]S){1|C<3>,2|H<1>}	122.4010	0.000	1	122.4010	0.000	1	123.1643	1.211	9	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](SiC[6a]2W)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](SiC[6a]2W)(C[6]C[6]H)2{1|C<3>,2|H<1>}	122.0230	2.131	2	122.0230	4.542	2	123.1643	1.211	9	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](SiC[6a]2C)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](SiC[6a]2C)(C[6]C[6]H)2{1|C<3>,2|H<1>}	123.4085	0.391	2	123.4085	0.153	2	123.1643	1.211	9	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](SiC[6a]2W)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](SiC[6a]2W)(C[6]C[6]H)2{1|C<3>,2|H<1>}	123.7860	0.134	2	123.7860	0.018	2	123.1643	1.211	9	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](SiC[6a]CoH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](SiC[6a]CoH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	123.8215	0.173	2	123.8215	0.030	2	123.1643	1.211	9	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si[4]-4:C[6]-3:C[6]-3:	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](Si[4]N[4]2W)(C[6]C[6]H)2	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|W<6>,3|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](Si[4]N[4]2W)(C[6]C[6]H)2{2|C<3>,2|C<4>,2|H<1>}	123.2900	0.324	2	123.2900	0.105	2	123.2900	0.105	2	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si[5]-4:C[6]-3:C[6]-3:	C[6](N[6]Si[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](Si[5]C[5]2O)(C[6]C[6]H)2	C[6](N[6]Si[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](Si[5]C[5]2O)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	123.4080	0.095	2	123.4080	0.009	2	123.4080	0.009	2	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6]-3:C[6]-3:	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](Si[6]N[6]2O)(C[6]C[6]H)2	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](Si[6]N[6]2O)(C[6]C[6]H)2{2|H<1>,5|C<3>}	123.2240	0.017	2	123.2028	0.014	4	123.3327	0.049	6	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6]-3:C[6]-3:	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](Si[6]N[6]2O)(C[6]C[6]H)2	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](Si[6]N[6]2O)(C[6]C[6]H)2{2|H<1>,5|C<3>}	123.1815	0.197	2	123.2028	0.014	4	123.3327	0.049	6	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6]-3:C[6]-3:	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](Si[6]N[6]2P)(C[6]C[6]H)2	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>,3|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](Si[6]N[6]2P)(C[6]C[6]H)2{2|H<1>,5|C<3>}	123.5925	0.049	2	123.5925	0.002	2	123.3327	0.049	6	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:C-3:	C[6](N[6]C[4,6]C)(C[6]N[6]H)(H)	C[6](N[6]C[4,6]C)(C[6]N[6]H)(H)	N[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCO)	C[6](N[6]C[4,6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[4,6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCO){1|C<4>,2|N<3>,3|H<1>}	123.1296	1.207	8	123.1296	1.456	8	123.1296	1.456	8	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|H<1>,6|C<3>}	116.8235	0.213	2	116.8235	0.045	2	116.8235	0.045	2	122.0518	2.215	341	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[6](C[6]C[6,6a]H)(N[6]C[5,6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6,6a]H)(N[6]C[5,6]S)(H){2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]H)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	122.3450	0.000	1	122.3450	0.000	1	122.3450	0.000	1	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]OU)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|U<12>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|U<12>,1|O<2>,2|C<4>}	N[6](C[6]C[6]OU)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	120.8680	0.966	4	120.7644	0.753	5	121.2619	2.436	14	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]OU)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|U<14>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|U<14>,1|O<2>,2|C<4>}	N[6](C[6]C[6]OU)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	120.3500	0.000	1	120.7644	0.753	5	121.2619	2.436	14	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]YbO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Yb<14>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Yb<14>,1|O<2>,2|C<4>}	N[6](C[6]C[6]YbO)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	120.8403	0.293	3	120.8403	0.086	3	121.2619	2.436	14	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]ZrO)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Zr<16>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<16>,1|O<2>,2|C<4>}	N[6](C[6]C[6]ZrO)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	120.4638	0.110	4	120.4638	0.012	4	121.2619	2.436	14	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>}	124.8100	0.000	1	124.8100	0.000	1	121.2619	2.436	14	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	124.6590	0.000	1	124.6590	0.000	1	121.2619	2.436	14	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[6]C[6]2H)(C[6]C[6]H)(SC[6]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]H)(SC[6]OO){3|C<3>,3|H<1>}	123.7990	0.000	1	123.7990	0.000	1	123.7990	0.000	1	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]H)(N[6]C[6]C)(O)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]O)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[5,6]H)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]O)(H){1|C<3>,5|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH){1|H<1>,2|C<3>}	118.7070	0.000	1	118.7070	0.000	1	118.7070	0.000	1	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,3|H<1>}	117.0750	0.000	1	117.0750	0.000	1	116.3448	2.743	6	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){2|C<3>,2|H<1>}	115.3520	0.000	1	115.3520	0.000	1	116.3448	2.743	6	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH)	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH){2|C<3>,2|H<1>}	115.7450	0.000	1	115.7450	0.000	1	116.3448	2.743	6	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]N[6]O)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,3|H<1>}	118.0145	0.357	2	118.0145	0.128	2	116.3448	2.743	6	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(C[6]O[6]C)(H)	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]N[6]O)(C[6]O[6]C)(H){2|C<4>}	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH){1|H<1>,5|C<3>}	113.8680	0.000	1	113.8680	0.000	1	116.3448	2.743	6	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO){3|C<3>,3|H<1>}	115.8360	0.000	1	115.8360	0.000	1	115.8870	0.005	2	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	115.9380	0.000	1	115.9380	0.000	1	115.8870	0.005	2	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,3|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|O<1>,2|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|N<3>,2|O<1>}	118.0370	0.000	1	118.0370	0.000	1	117.2814	0.410	17	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,2|O<1>}	116.5898	0.498	5	116.5898	0.248	5	117.2814	0.410	17	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|H<1>,3|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	117.9355	0.589	2	117.9355	0.347	2	117.2814	0.410	17	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	117.7840	0.000	1	117.6320	0.099	3	117.2814	0.410	17	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	117.5560	0.403	2	117.6320	0.099	3	117.2814	0.410	17	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|H<1>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.9405	0.448	2	116.9405	0.200	2	117.2814	0.410	17	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	117.6147	0.179	3	117.6147	0.032	3	117.2814	0.410	17	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	117.3060	0.000	1	117.3060	0.000	1	117.2814	0.410	17	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:S-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(S)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]S)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(S){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|S<1>,2|H<1>}	116.4530	0.000	1	116.4530	0.000	1	116.4530	0.000	1	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	N[5,6]-3:C[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]N[5,6]O)(N[6]C[5,6]C)(O)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]N[6]O)(O)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[5,6]O)(N[6]C[5,6]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]N[6]O)(O){3|C<3>,3|C<4>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|N<3>,2|O<1>}	116.9900	0.072	2	116.9900	0.005	2	116.9900	0.005	2	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(S){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|O<1>,2|H<1>}	116.8450	0.000	1	116.8450	0.000	1	116.8450	0.000	1	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:S-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]S)(N[6]C[6]C)(S){1|H<1>,3|C<4>}	C[6](C[6]N[6]S)(N[6]C[6]C)(S){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3){1|N<3>,1|S<1>,2|H<1>}	115.8785	0.450	4	115.8785	0.203	4	116.1155	0.688	10	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:S-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]S)(N[6]C[6]C)(S){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(S){1|H<1>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>}	115.8812	0.500	4	116.2735	1.041	6	116.1155	0.688	10	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:S-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	C[6](C[6]N[6]S)(N[6]C[6]C)(S)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]S)(N[6]C[6]C)(S){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(S){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<1>,2|H<1>}	117.0580	1.615	2	116.2735	1.041	6	116.1155	0.688	10	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|Fe<10>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]N[6]H)(H){1|Fe<10>,1|S<4>,2|C<4>}	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	122.7660	0.000	1	122.7660	0.000	1	122.7660	0.000	1	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]N[6]H)(H)	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]N[6]H)(H){1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,4|H<1>}	125.6710	0.000	1	125.6710	0.000	1	125.6710	0.000	1	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:Si-4:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](C[6]C[6]HP)(C[6]C[6]H)(SiFeCC)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HP)(C[6]C[6]H)(SiFeCC){1|C<3>,2|H<1>}	125.1840	0.000	1	125.1840	0.000	1	125.1840	0.000	1	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	B[5,6]-4:C[6]-3:C-4:	C[6](N[6]B[5,6]C)(C[6]N[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]H)(CCCH)	C[6](N[6]B[5,6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<4>,2|B<4>}	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]H)(CCCH){1|B<4>,1|H<1>,1|N<3>,2|C<4>}	124.0575	0.595	2	124.0575	0.354	2	124.0575	0.354	2	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:C-4:	C[6](N[6]C[4,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H)	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(CH3)	C[6](N[6]C[4,6]C)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H){1|H<1>,3|C<4>}	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,4|H<1>}	117.8060	0.000	1	117.8060	0.000	1	117.8060	0.000	1	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6](N[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	117.4850	0.000	1	117.4850	0.000	1	117.4850	0.000	1	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:S-4:	C[6](N[6]C[6,6]S)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](N[6]C[6,6]S)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H){1|C<3>,1|S<4>,2|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	114.8940	0.000	1	114.8940	0.000	1	114.8940	0.000	1	118.5390	8.473	64	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3,3,5,3x6]-5:C[6]-3:C[6]-3:	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<4>,2|B<6>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<2>,1|S<4>,3|B<6>,5|H<1>}	122.2680	0.000	1	122.2680	0.000	1	121.9650	0.069	3	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3,3,5,3x6]-5:C[6]-3:C[6]-3:	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(C[6]C[6]H)2	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H){1|C<3>,3|B<6>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(C[6]C[6]H)2{1|C<3>,2|H<2>,4|B<6>,5|H<1>}	121.8135	0.011	2	121.8135	0.000	2	121.9650	0.069	3	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Ni)(C[6]C[6]H)2	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Ni<9>,1|B<5>,1|C<3>,2|B<6>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Ni)(C[6]C[6]H)2{1|C<3>,1|C<5>,1|N<3>,3|B<6>,4|H<1>}	121.5870	0.117	2	121.5870	0.014	2	122.1962	0.547	11	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<8>,1|C<3>,1|C<4>,1|H<1>,3|B<6>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,4|B<6>,5|H<1>}	123.7150	0.000	1	123.7150	0.000	1	122.1962	0.547	11	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]H)2	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<8>,1|C<3>,2|H<1>,3|B<6>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]H)2{1|C<3>,4|B<6>,5|H<1>}	121.5795	0.251	2	121.6803	0.039	4	122.1962	0.547	11	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]H)2	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<9>,1|C<3>,2|H<1>,3|B<6>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]H)2{1|C<3>,4|B<6>,5|H<1>}	121.7810	0.122	2	121.6803	0.039	4	122.1962	0.547	11	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|H<1>,3|B<6>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<2>,4|B<6>,5|H<1>}	122.6370	0.385	4	122.6370	0.148	4	122.1962	0.547	11	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3,3,5,6,6a,6a]-5:C[6]-3:C[6]-3:	C[6](N[6]B[3,3,5,6,6a,6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3,3,5,6,6a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H)(C[6]C[6]H)2	C[6](N[6]B[3,3,5,6,6a,6a]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,2|B<6>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](B[3,3,5,6,6a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H)(C[6]C[6]H)2{1|C<3>,1|H<2>,1|N<4>,3|B<6>,5|H<1>}	121.9135	0.422	2	121.9135	0.178	2	121.9135	0.178	2	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3x3,5,5,6,6]-5:C[6]-3:C[6]-3:	C[6](N[6]B[3x3,5,5,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3x3,5,5,6,6]B[6x3,3x5,6x6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6])(C[6]C[6]H)2	C[6](N[6]B[3x3,5,5,6,6]C[6])(C[6]C[6]H)(H){1|B<5>,1|B<7>,1|C<3>,2|B<6>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](B[3x3,5,5,6,6]B[6x3,3x5,6x6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6])(C[6]C[6]H)2{1|B<5>,1|B<7>,1|C<3>,2|H<2>,4|B<6>,5|H<1>}	121.5550	0.041	2	121.5550	0.002	2	121.5550	0.002	2	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3x3,5,5,7x6]-5:C[6]-3:C[6]-3:	C[6](N[6]B[3x3,5,5,7x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]B[3,3,5,4x6])(C[6]C[6]H)2	C[6](N[6]B[3x3,5,5,7x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]B[3,3,5,4x6])(C[6]C[6]H)2{1|Ni<9>,1|C<3>,1|C<5>,1|N<3>,3|B<6>,5|H<1>}	121.9430	0.116	2	121.9430	0.013	2	121.9430	0.013	2	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[4x3,4x5,4x6]-5:C[6]-3:C[6]-3:	C[6](N[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6]C[6]H)2	C[6](N[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,4|B<6>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6]C[6]H)2{1|C<3>,4|B<6>,6|H<1>}	122.5288	0.388	4	122.5288	0.150	4	122.5288	0.150	4	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga[3x6]-5:C[6]-3:C[6]-3:	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Ga[3x6]N[5a,6,6]2O[6]2)(C[6]C[6]H)2	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	N[6](Ga[3x6]N[5a,6,6]2O[6]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	122.7205	0.069	2	122.7205	0.005	2	122.7205	0.005	2	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ga[6]-5:C[6]-3:C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Ga[6]N[6,6]2Cl2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	N[6](Ga[6]N[6,6]2Cl2)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,5|C<3>}	123.3180	0.000	1	123.3180	0.000	1	123.3180	0.000	1	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ge[4x6]-5:C[6]-3:C[6]-3:	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Ge[4x6]N[5a,6,6]4)(C[6]C[6]H)2	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ge<5>,1|C<3>,1|H<1>}	N[6](Ge[4x6]N[5a,6,6]4)(C[6]C[6]H)2{2|H<1>,9|C<3>}	122.1010	0.198	2	122.1010	0.039	2	122.1010	0.039	2	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[5]-5:C[6]-3:C[6]-3:	C[6](N[6]Nb[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Nb[5]C[5]N[5]NN)(C[6]C[6]H)2	C[6](N[6]Nb[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>}	N[6](Nb[5]C[5]N[5]NN)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	123.3420	0.048	2	123.3420	0.002	2	123.3420	0.002	2	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[6]-5:C[6]-3:C[6]-3:	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](Nb[6]N[6]2NO)(C[6]C[6]H)2	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>}	N[6](Nb[6]N[6]2NO)(C[6]C[6]H)2{2|H<1>,5|C<3>}	124.5135	0.162	2	124.5135	0.026	2	124.5135	0.026	2	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si-5:C[6]-3:C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](SiN[6]ClCH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	N[6](SiN[6]ClCH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	122.7163	0.305	4	122.7163	0.093	4	123.3639	0.519	8	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si-5:C[6]-3:C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	N[6](SiN[6]ClCH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	N[6](SiN[6]ClCH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	124.0115	0.017	4	124.0115	0.000	4	123.3639	0.519	8	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si[4]-5:C[6]-3:C[6]-3:	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S)	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S){2|H<1>,5|C<3>}	120.4417	0.237	3	120.4417	0.056	3	120.4417	0.056	3	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si[6]-5:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H)	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]H)2(H){1|Si<5>,2|C<3>}	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	124.8920	3.363	2	124.8920	11.310	2	124.8920	11.310	2	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	Si[4]-5:C[6]-3:C[6]-3:	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S)	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(S){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Si<5>,1|C<3>,1|H<1>}	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S){2|H<1>,5|C<3>}	119.9390	0.392	3	119.9390	0.153	3	119.9390	0.153	3	122.3980	1.803	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3,3,5,3x6]-6:C[6]-3:C[6]-3:	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]RhH)(C[6]C[6]H)2	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H){1|Rh<6>,1|B<5>,1|C<3>,1|H<2>,2|B<6>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<6>,1|C<3>,1|C<4>}	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]RhH)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|S<3>,3|B<6>,4|H<1>}	120.9690	0.000	1	120.9690	0.000	1	120.9690	0.000	1	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3x3,3x5,12x6]-6:C[6]-3:C[6]-3:	C[6](N[6]B[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	N[6](B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(C[6]C[6]H)2	C[6](N[6]B[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|Co<10>,1|H<1>,2|C<3>,4|B<6>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<6>,1|H<1>,3|C<3>}	N[6](B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(C[6]C[6]H)2{1|C<3>,2|C<6>,3|B<6>,6|H<1>}	121.6290	0.174	2	121.6290	0.030	2	121.6290	0.030	2	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3x3,5,4x6]-6:C[6]-3:C[6]-3:	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]Rh)(C[6]C[6]H)2	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<6>,1|C<3>,1|H<2>,2|H<1>,3|B<6>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<6>,1|C<3>,1|H<1>}	N[6](B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]Rh)(C[6]C[6]H)2{1|B<5>,1|C<3>,3|B<6>,5|H<1>}	121.3670	0.038	2	121.5910	0.112	4	121.5910	0.112	4	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[3x3,5,4x6]-6:C[6]-3:C[6]-3:	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]Rh)(C[6]C[6]H)2	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<7>,1|C<3>,1|H<2>,2|H<1>,3|B<6>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<6>,1|C<3>,1|H<1>}	N[6](B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]Rh)(C[6]C[6]H)2{1|B<5>,1|C<3>,3|B<6>,5|H<1>}	121.8150	0.366	2	121.5910	0.112	4	121.5910	0.112	4	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	B[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	C[6](N[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2	C[6](N[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,5|B<6>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|B<6>,1|C<3>,1|H<1>}	N[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2{1|C<3>,5|B<6>,7|H<1>}	122.4488	0.189	4	122.4488	0.036	4	122.4488	0.036	4	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	C[6](N[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	N[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2	C[6](N[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,5|B<6>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<6>,1|H<1>}	N[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2{1|C<3>,5|B<6>,7|H<1>}	121.5990	0.114	4	121.5990	0.013	4	121.5990	0.013	4	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ge[4x6]-6:C[6]-3:C[6]-3:	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](Ge[4x6]N[5a,6,6]4N[6])(C[6]C[6]H)2	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,5|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ge<6>,1|C<3>,1|H<1>}	N[6](Ge[4x6]N[5a,6,6]4N[6])(C[6]C[6]H)2{11|C<3>,2|H<1>}	122.9520	0.414	2	122.9520	0.172	2	122.9520	0.172	2	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	In-6:C[6]-3:C[6]-3:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](InN[6]2Br3)(C[6]C[6]H)2	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	N[6](InN[6]2Br3)(C[6]C[6]H)2{1|C<3>,2|H<1>}	122.4130	0.181	3	122.4130	0.033	3	122.2008	0.401	9	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	In-6:C[6]-3:C[6]-3:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](InN[6]2ClNN)(C[6]C[6]H)2	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	N[6](InN[6]2ClNN)(C[6]C[6]H)2{1|C<3>,2|H<1>}	122.0947	0.767	6	122.0947	0.588	6	122.2008	0.401	9	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	In[3x5]-6:C[6]-3:C[6]-3:	C[6](N[6]In[3x5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](In[3x5]N[3x5]N[5,6]N[5]2Cl)(C[6]C[6]H)2	C[6](N[6]In[3x5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<4>,2|H<1>,3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	N[6](In[3x5]N[3x5]N[5,6]N[5]2Cl)(C[6]C[6]H)2{2|H<1>,2|S<4>,3|C<3>,5|C<4>}	122.1850	0.969	2	122.1850	0.938	2	122.1850	0.938	2	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	In[5]-6:C[6]-3:C[6]-3:	C[6](N[6]In[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](In[5]N[6]2O[5]2Cl)(C[6]C[6]H)2	C[6](N[6]In[5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	N[6](In[5]N[6]2O[5]2Cl)(C[6]C[6]H)2{2|H<1>,7|C<3>}	122.5712	0.371	4	122.5712	0.138	4	122.5712	0.138	4	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[3,3]-6:C[6]-3:C[6]-3:	C[6](N[6]Nb[3,3]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Nb[3,3]Nb[3,3,6]O[3]2NN)(C[6]C[6]H)2	C[6](N[6]Nb[3,3]C[6])(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	N[6](Nb[3,3]Nb[3,3,6]O[3]2NN)(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	122.9210	0.656	2	122.9210	0.431	2	122.9210	0.431	2	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[3x6]-6:C[6]-3:C[6]-3:	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Nb[3x6]N[3x6]N[6,6]2ClN)(C[6]C[6]H)2	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	N[6](Nb[3x6]N[3x6]N[6,6]2ClN)(C[6]C[6]H)2{2|Si<4>,2|C<4>,2|H<1>,3|C<3>}	123.0830	1.102	2	123.0830	1.214	2	122.9095	0.448	4	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[3x6]-6:C[6]-3:C[6]-3:	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Nb[3x6]P[3x6]N[6]3N)(C[6]C[6]H)2	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|P<4>,2|H<1>,3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	N[6](Nb[3x6]P[3x6]N[6]3N)(C[6]C[6]H)2{2|H<1>,3|C<4>,7|C<3>}	122.7360	0.092	2	122.7360	0.008	2	122.9095	0.448	4	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[6]-6:C[6]-3:C[6]-3:	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Nb[6]N[6]2CCN)(C[6]C[6]H)2	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	N[6](Nb[6]N[6]2CCN)(C[6]C[6]H)2{2|H<1>,5|C<3>}	123.3920	0.202	2	123.3920	0.041	2	123.3920	0.041	2	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si-6:C[6]-3:C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](SiN[6]3HH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	122.6194	0.482	8	122.6194	0.232	8	122.4628	0.362	14	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si-6:C[6]-3:C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	N[6](SiN[6]Cl3H)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	N[6](SiN[6]Cl3H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	122.6865	0.331	4	122.6865	0.109	4	122.4628	0.362	14	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Si-6:C[6]-3:C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](SiN[6]3HH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|C<4>}	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	121.3890	0.225	2	121.3890	0.051	2	122.4628	0.362	14	122.3313	0.466	54	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	7:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[3x3]-7:C[6]-3:C[6]-3:	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Nb[3x3]Nb[3x3]Cl[3]3ClN)(C[6]C[6]H)2	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|Nb<7>,3|Cl<2>,1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>}	N[6](Nb[3x3]Nb[3x3]Cl[3]3ClN)(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	122.9345	1.309	2	122.9345	1.713	2	122.9508	0.795	12	122.8439	0.747	14	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	7:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[3x3]-7:C[6]-3:C[6]-3:	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Nb[3x3]Nb[3x3]Cl[3]3N[6]N)(C[6]C[6]H)2	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Nb<7>,3|Cl<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>}	N[6](Nb[3x3]Nb[3x3]Cl[3]3N[6]N)(C[6]C[6]H)2{1|Cl<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	122.5438	0.759	4	122.5438	0.577	4	122.9508	0.795	12	122.8439	0.747	14	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	7:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[3x3]-7:C[6]-3:C[6]-3:	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Nb[3x3]Nb[3x3]Cl[3]N[3]2Cl2)(C[6]C[6]H)2	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Cl<2>,1|Nb<7>,2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>}	N[6](Nb[3x3]Nb[3x3]Cl[3]N[3]2Cl2)(C[6]C[6]H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>,2|N<3>}	122.5075	0.764	2	122.5075	0.584	2	122.9508	0.795	12	122.8439	0.747	14	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	7:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[3x3]-7:C[6]-3:C[6]-3:	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Nb[3x3]Nb[3x3]Cl[3]N[3]2N[6]Cl)(C[6]C[6]H)2	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|Cl<2>,1|Nb<7>,1|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>}	N[6](Nb[3x3]Nb[3x3]Cl[3]N[3]2N[6]Cl)(C[6]C[6]H)2{2|Cl<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	123.5877	0.824	4	123.5877	0.679	4	122.9508	0.795	12	122.8439	0.747	14	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	7:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[3x5]-7:C[6]-3:C[6]-3:	C[6](N[6]Nb[3x5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Nb[3x5]O[5]6)(C[6]C[6]H)2	C[6](N[6]Nb[3x5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,6|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>}	N[6](Nb[3x5]O[5]6)(C[6]C[6]H)2{2|H<1>,7|C<3>}	122.2020	0.051	2	122.2020	0.003	2	122.2020	0.003	2	122.8439	0.747	14	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	8:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Nb[3,3,3x6]-8:C[6]-3:C[6]-3:	C[6](N[6]Nb[3,3,3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](Nb[3,3,3x6]N[5,6,6]3C[3,3]2C[3]2)(C[6]C[6]H)2	C[6](N[6]Nb[3,3,3x6]C[6])(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>,3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<8>,1|C<3>,1|H<1>}	N[6](Nb[3,3,3x6]N[5,6,6]3C[3,3]2C[3]2)(C[6]C[6]H)2{3|C<4>,3|N<3>,4|C<3>,4|H<1>}	123.1830	0.253	2	123.1830	0.064	2	123.1830	0.064	2	123.1830	0.064	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(N[6]C[6]O)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(OH)	N[6](C[6]C[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(N[6]C[6]O)(Br){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	121.1220	0.000	1	121.1220	0.000	1	121.1220	0.000	1	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(N[6]C[6]O)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(OH)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(N[6]C[6]O)(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	120.4220	0.000	1	120.4220	0.000	1	120.4220	0.000	1	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	118.7570	0.000	1	118.7570	0.000	1	119.6060	0.541	3	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|H<1>}	120.0305	0.016	2	120.0305	0.000	2	119.6060	0.541	3	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	119.0930	0.000	1	119.0930	0.000	1	120.6713	2.179	3	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	120.9030	0.000	1	120.9030	0.000	1	120.6713	2.179	3	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(NH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(NH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	122.0180	0.000	1	122.0180	0.000	1	120.6713	2.179	3	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a])	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a]){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>}	118.8875	0.302	2	118.8875	0.091	2	119.8868	0.330	25	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>}	119.8895	0.522	18	119.9011	0.247	20	119.8868	0.330	25	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	120.0055	0.189	2	119.9011	0.247	20	119.8868	0.330	25	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(OC[6a])	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(C[6]N[6]H)(OC[6a]){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>}	120.1340	0.000	1	120.1340	0.000	1	119.8868	0.330	25	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(OC)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(OC){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	120.5620	0.000	1	120.5620	0.000	1	119.8868	0.330	25	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(OC)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(OC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	120.6760	0.000	1	120.6760	0.000	1	119.8868	0.330	25	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(N[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(OC)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	120.5510	0.000	1	120.5510	0.000	1	120.5510	0.000	1	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[5a,6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]N)(N[6]C[6]H)(O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(NH)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5a,6]N)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|S<2>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(NH){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	117.9630	0.000	1	117.9630	0.000	1	117.9630	0.000	1	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)2(H){1|C<2>,1|C<3>,1|H<1>}	115.6900	0.000	1	114.9740	1.025	2	114.7733	0.633	3	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|H<1>,2|C<3>}	N[6](C[6]C[6]O)2(H){1|C<2>,2|C<3>}	114.2580	0.000	1	114.9740	1.025	2	114.7733	0.633	3	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(CN)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(CN){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<2>,1|C<3>,1|H<1>}	114.3720	0.000	1	114.3720	0.000	1	114.7733	0.633	3	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(NN)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[6]N)(C[6]N[6]O)(NN){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>}	115.7240	0.000	1	115.7240	0.000	1	115.4387	0.411	18	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(NN)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	C[6](C[6]N[6]O)2(NN){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>}	116.2390	0.000	1	115.5957	0.682	6	115.4387	0.411	18	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(NN)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(NN){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	115.7802	0.563	4	115.5957	0.682	6	115.4387	0.411	18	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(NN)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(NN){1|Zn<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|N<2>}	114.2140	0.000	1	115.5957	0.682	6	115.4387	0.411	18	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(NO)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	C[6](C[6]N[6]O)2(NO){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>}	115.6500	0.000	1	115.3271	0.321	11	115.4387	0.411	18	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(NO)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(NO){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	115.2948	0.586	10	115.3271	0.321	11	115.4387	0.411	18	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(OC)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(OC){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	114.4300	0.000	1	114.4300	0.000	1	114.4300	0.000	1	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]N[6])	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6]H)(O){1|N<3>,1|S<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]N[6]){3|C<3>,4|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|N<2>}	114.2680	0.000	1	114.2680	0.000	1	114.2680	0.000	1	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	C[6](C[6]C[6]N)(C[6]N[6]S)(CN)	N[6](C[6]C[6]N)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]S)(CN){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<2>,1|C<3>,1|H<1>}	116.9780	1.253	2	116.9780	1.570	2	116.1227	2.980	3	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	C[6](C[6]C[6a]C[6])(C[6]N[6]S)(CN)	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]S)(CN){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<2>,2|C<3>}	114.4120	0.000	1	114.4120	0.000	1	116.1227	2.980	3	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]S)(H)	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(SC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]S)(H){1|S<2>,2|C<3>}	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(SC){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	121.2235	0.678	2	121.2235	0.460	2	121.2235	0.460	2	118.0919	6.050	63	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	N[6](C[6]C[6]H)2(OCo)	C[6](C[6]C[6]O)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OCo){1|C<3>,1|H<1>,1|O<2>}	119.6110	0.000	1	119.6110	0.000	1	119.6110	0.000	1	119.6110	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	119.9660	0.000	1	119.9660	0.000	1	119.9660	0.000	1	116.2240	10.553	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]N[6])(N[6]C[6]N)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]N[6])	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	C[6](C[6]C[6a]N[6])(N[6]C[6]N)(O){1|N<3>,1|S<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]N[6]){1|N<3>,3|C<3>,3|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<3>,1|H<1>,1|N<2>}	114.3530	0.320	2	114.3530	0.102	2	114.3530	0.102	2	116.2240	10.553	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<2>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<2>}	120.7159	0.802	8	120.6505	0.525	10	120.3885	0.468	16	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<2>,1|C<3>,1|H<1>}	120.3890	0.215	2	120.6505	0.525	10	120.3885	0.468	16	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<3>,1|H<1>}	120.1253	0.106	3	120.1253	0.011	3	120.3885	0.468	16	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<2>,1|C<3>,1|H<1>}	119.7783	0.367	3	119.7783	0.135	3	120.3885	0.468	16	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	120.7230	0.000	1	120.7230	0.000	1	120.6310	0.096	3	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<2>}	120.8850	0.000	1	120.8850	0.000	1	120.6310	0.096	3	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	120.2850	0.000	1	120.2850	0.000	1	120.6310	0.096	3	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(OCu)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(OCu){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|O<2>}	122.2060	0.023	2	122.2060	0.001	2	120.7070	0.488	13	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	120.5142	0.168	6	120.5142	0.028	6	120.7070	0.488	13	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|O<2>}	120.3388	0.284	5	120.3388	0.081	5	120.7070	0.488	13	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)(CN)	N[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]O)(CN){1|C<2>,1|C<4>,3|C<3>}	N[6](C[6]C[6]O)2(CCHH){1|C<3>,2|C<2>}	116.2872	0.415	6	116.2872	0.172	6	116.2947	0.276	18	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	N[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<3>,1|C<4>,1|N<2>}	N[6](C[6]C[6]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	116.4623	0.752	6	116.4623	0.565	6	116.2947	0.276	18	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	N[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<4>,2|C<3>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<2>,2|C<3>}	115.7095	0.142	2	115.7095	0.020	2	116.2947	0.276	18	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	N[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<3>,1|C<4>,1|N<2>}	N[6](C[6]C[6]O)2(CH3){1|C<2>,1|C<3>,1|N<2>}	116.3470	0.201	4	116.3470	0.040	4	116.2947	0.276	18	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(NN)	N[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(NN){1|C<2>,1|C<3>,1|C<4>}	N[6](C[6]C[6]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	117.7103	0.464	6	117.7103	0.215	6	117.0273	1.075	15	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(NN)	N[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(NN){1|C<2>,1|C<3>,1|C<4>}	N[6](C[6]C[6]O)2(CH3){1|C<2>,1|C<3>,1|N<2>}	117.5885	0.420	4	117.5885	0.176	4	117.0273	1.075	15	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(NO)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[6]N)(C[6]N[6]O)(NO){1|C<3>,1|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<2>}	115.8880	0.000	1	115.8880	0.000	1	117.0273	1.075	15	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(NN)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(NN){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	115.5680	1.000	2	115.5680	1.000	2	117.0273	1.075	15	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(NO)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(NO){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	115.8845	0.463	2	115.8845	0.215	2	117.0273	1.075	15	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|H<1>,3|C<3>}	121.8973	0.073	3	121.8973	0.005	3	121.8973	0.005	3	118.7015	4.758	68	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	3:4:3:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]O)(O)	C[6](C[6]N[6]O[6])(C[6]N[6]O)(OSi)	N[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]O)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6]O[6])(C[6]N[6]O)(OSi){1|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	112.5590	0.000	1	112.5590	0.000	1	112.5590	0.000	1	112.5590	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]N[6])(N[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(N[6]N[6])	N[6](C[6]N[6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6a]N[6])(N[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(N[6]N[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[6](C[6]N[6]CC)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	120.4610	0.461	4	120.4610	0.213	4	120.4610	0.213	4	117.8886	5.962	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,3|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<4>,3|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|C<2>,1|C<3>,2|H<1>}	115.5250	0.000	1	115.5250	0.000	1	115.3648	0.245	4	117.8886	5.962	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(CC)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(CC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){1|C<2>,2|C<3>}	115.3113	0.592	3	115.3113	0.351	3	115.3648	0.245	4	117.8886	5.962	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:S-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]S)(N[6]C[6]H)(O)	C[6](C[6]C[6]O)(C[6]N[6]O)(SC[6a])	N[6](C[6]C[5a]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]O)(SC[6a]){1|C<4>,3|H<1>}	N[6](C[6]C[5a]C[6a]C[6])(C[6]C[6]O)(H){1|S<2>,2|H<1>,5|C<3>}	118.1890	0.000	1	118.1890	0.000	1	118.1890	0.000	1	117.8886	5.962	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	4:3:1:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[4,6]-4:C[6]-3:H-1:	C[6](N[6]C[4,6]H)(C[6]C[6]C)(O)	C[6](C[6]N[6]O)(C[6]S[6]N)(CN)	N[6](C[4,6]C[4]2S[6])(C[6]C[6]O)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(O){1|N<3>,1|S<2>,2|C<4>}	C[6](C[6]N[6]O)(C[6]S[6]N)(CN){1|C<4>,1|H<1>}	N[6](C[4,6]C[4]2S[6])(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	117.3940	0.000	1	117.3940	0.000	1	117.3940	0.000	1	117.8886	5.962	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CC)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(CC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<2>,1|C<3>,1|H<1>}	121.6380	0.008	2	121.6380	0.000	2	121.6380	0.000	2	121.6380	0.000	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	121.7460	0.000	1	121.7460	0.000	1	122.3505	0.731	2	120.1490	14.905	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	122.9550	0.000	1	122.9550	0.000	1	122.3505	0.731	2	120.1490	14.905	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(NO)	N[6](C[6]N[6]SrO)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|Sr<10>,1|O<2>,2|N<3>}	C[6](C[6]N[6]N)(C[6]N[6]O)(NO){1|Sr<10>,2|C<4>}	N[6](C[6]N[6]SrO)(C[6]C[6]O)(CH3){1|C<3>,1|N<2>}	115.7460	0.000	1	115.7460	0.000	1	115.7460	0.000	1	120.1490	14.905	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.9500	0.000	1	120.9500	0.000	1	121.2022	0.463	5	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	121.0240	0.000	1	121.2652	0.591	4	121.2022	0.463	5	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.3457	0.921	3	121.2652	0.591	4	121.2022	0.463	5	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){2|C<3>,2|H<1>,2|N<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	119.3840	0.000	1	119.8684	0.127	9	119.8684	0.127	9	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|H<1>,2|N<2>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	119.8355	0.194	4	119.8684	0.127	9	119.8684	0.127	9	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	120.0225	0.437	4	119.8684	0.127	9	119.8684	0.127	9	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(N[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.4125	1.005	2	117.4125	1.010	2	117.4125	1.010	2	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){3|H<1>,4|C<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	120.4652	0.630	4	120.4652	0.397	4	120.3661	1.189	14	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|N<2>,3|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	120.4057	0.185	3	120.4057	0.034	3	120.3661	1.189	14	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|N<2>,3|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	119.9545	0.080	2	120.5180	2.396	6	120.3661	1.189	14	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,3|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	120.8770	0.000	1	120.5180	2.396	6	120.3661	1.189	14	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	118.7920	0.000	1	120.5180	2.396	6	120.3661	1.189	14	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	120.1650	0.000	1	120.5180	2.396	6	120.3661	1.189	14	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	123.3650	0.000	1	120.5180	2.396	6	120.3661	1.189	14	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	118.9390	0.000	1	118.9390	0.000	1	120.3661	1.189	14	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(N[6]C[6]O)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[5a]C[6])(N[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	121.2225	0.074	2	121.2225	0.006	2	121.2225	0.006	2	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH)	N[6](C[6]C[6,6a]S)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(H){1|S<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]S)(C[6]C[6]H)(H){3|C<3>}	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){4|H<1>,5|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	120.7117	0.065	3	120.7117	0.004	3	120.7117	0.004	3	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]O)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]H){1|O<1>,2|H<1>,6|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){3|C<3>}	121.4810	0.000	1	121.4810	0.000	1	121.4810	0.000	1	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:As-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]As)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(AsCl2)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]As)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(AsCl2){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|As<3>,1|C<3>,1|H<1>}	119.9390	0.000	1	119.9390	0.000	1	119.9390	0.000	1	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]B)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]B)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|B<3>,1|C<3>,1|H<1>}	121.0172	0.296	13	121.0172	0.088	13	121.0172	0.088	13	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(COO){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	120.3010	0.242	2	120.3010	0.058	2	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	119.7897	0.167	4	119.7897	0.028	4	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CBrC)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CBrC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	120.9510	0.000	2	120.9510	0.000	2	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	120.4840	0.164	2	120.4840	0.027	2	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5a]2)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5a]2){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	119.8740	0.000	1	119.8740	0.000	1	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6]O)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	119.6930	0.000	1	119.6930	0.000	1	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CClO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CClO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	118.9610	0.000	1	118.9610	0.000	1	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	120.2873	0.356	3	120.2873	0.127	3	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNN)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNN){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	123.8680	0.000	1	123.8680	0.000	1	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|Br<1>,2|C<3>}	118.8700	0.000	1	120.4197	1.083	29	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	120.4750	1.015	28	120.4197	1.083	29	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNS)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNS){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	119.7635	0.276	2	119.7635	0.076	2	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	120.6270	0.000	1	120.6270	0.000	1	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	118.9770	0.000	1	119.7446	0.304	40	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	119.4505	0.042	2	119.7446	0.304	40	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]H)2(H){1|P<4>,2|C<3>}	120.0710	0.000	1	119.7446	0.304	40	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	119.7692	0.567	35	119.7446	0.304	40	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(H){3|C<3>}	119.9130	0.000	1	119.7446	0.304	40	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	122.6470	0.069	4	122.6470	0.005	4	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	121.5945	0.124	2	121.5945	0.015	2	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	123.6688	0.528	4	123.6688	0.279	4	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	121.8263	0.226	3	121.8263	0.051	3	120.4110	1.491	102	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|O<1>,2|C<3>}	N[6](C[6]C[6]H)2(O){3|C<3>}	120.9095	0.904	6	120.9095	0.817	6	120.7378	0.755	8	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	120.2225	0.705	2	120.2225	0.497	2	120.7378	0.755	8	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(N[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|N<3>,2|C<3>,4|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	119.8070	0.048	2	119.9788	0.083	5	119.9788	0.083	5	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(N[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){2|C<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	120.0933	0.341	3	119.9788	0.083	5	119.9788	0.083	5	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7031	0.657	22	119.7031	0.432	22	120.2445	1.292	79	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.1450	0.000	1	120.1450	0.000	1	120.2445	1.292	79	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	121.4765	0.053	2	121.4765	0.003	2	120.2445	1.292	79	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	120.2040	0.000	1	120.4053	1.406	36	120.2445	1.292	79	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4111	1.202	35	120.4053	1.406	36	120.2445	1.292	79	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.0085	0.067	2	120.0085	0.005	2	120.2445	1.292	79	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	119.0028	0.700	6	119.0028	0.490	6	120.2445	1.292	79	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.6284	0.677	8	121.6284	0.458	8	120.2445	1.292	79	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(NCH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.4280	0.000	1	121.4280	0.000	1	120.2445	1.292	79	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(NOO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(NOO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6660	0.000	1	119.6660	0.000	1	120.2445	1.292	79	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]N)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	120.2680	0.091	2	120.2680	0.008	2	120.6775	0.265	4	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]N)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|N<3>}	121.0870	0.339	2	121.0870	0.115	2	120.6775	0.265	4	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]N)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	119.3430	0.000	1	119.3430	0.000	1	119.3430	0.000	1	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	121.9975	0.581	2	121.6647	0.262	4	121.0460	0.911	15	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){3|H<1>,4|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){3|C<3>}	121.3320	0.078	2	121.6647	0.262	4	121.0460	0.911	15	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	123.4820	0.000	1	121.1654	1.188	7	121.0460	0.911	15	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	120.7793	0.417	6	121.1654	1.188	7	121.0460	0.911	15	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){2|H<1>,4|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.5990	0.000	1	120.5990	0.000	1	121.0460	0.911	15	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){3|C<3>,3|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	120.0913	0.371	3	120.0913	0.137	3	121.0460	0.911	15	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C[6](N[6]C[6]Ni)(C[6]N[6]H)(CCN)	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]N[6]H)(CCN){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	119.6810	0.000	1	119.6810	0.000	1	119.6810	0.000	1	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(N[6]C[6]H)(O)	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,2|N<3>,2|O<1>}	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2{1|N<3>,2|H<1>,4|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	116.5505	0.726	2	116.5505	0.527	2	116.5505	0.527	2	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(O)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]O)2	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<1>}	C[6](C[5a]C[5a]N[5a])(C[6]N[6]O)2{1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	115.8730	0.000	1	115.8730	0.000	1	115.8730	0.000	1	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCC)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCC){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){3|C<3>}	116.0180	0.000	1	116.0180	0.000	1	116.0180	0.000	1	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]O)2(H){1|C<2>,2|C<3>}	117.8580	0.000	1	117.8580	0.000	1	116.0803	0.867	15	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>}	114.2920	0.000	1	114.2920	0.000	1	116.0803	0.867	15	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	115.7030	0.307	3	115.7030	0.094	3	116.0803	0.867	15	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCC)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCC){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	117.0305	0.334	2	117.0305	0.112	2	116.0803	0.867	15	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCH)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	116.4013	0.465	4	116.4013	0.216	4	116.0803	0.867	15	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CC[6a]H)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	115.1920	0.000	1	115.7493	0.378	3	116.0803	0.867	15	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CC[6a]H)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	116.0280	0.539	2	115.7493	0.378	3	116.0803	0.867	15	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CNN)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)2(CNN){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){2|C<3>}	115.0320	0.000	1	115.0320	0.000	1	116.0803	0.867	15	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(NOO)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(NOO){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	111.6333	0.071	3	111.6333	0.005	3	114.4296	1.250	27	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(NOO)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[6]N)(C[6]N[6]O)(NOO){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	114.4640	0.631	2	114.4640	0.398	2	114.4296	1.250	27	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(NOO)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	C[6](C[6]N[6]O)2(NOO){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	114.5673	0.208	4	114.8077	0.261	22	114.4296	1.250	27	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(NOO)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(NOO){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	114.8612	0.547	18	114.8077	0.261	22	114.4296	1.250	27	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|N<3>,3|C<3>,3|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	116.6773	0.557	8	116.6274	0.227	14	116.6274	0.227	14	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{2|H<1>,2|N<3>,3|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	116.5608	0.384	6	116.6274	0.227	14	116.6274	0.227	14	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(CNO)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(CNO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	114.5630	0.000	1	114.5630	0.000	1	114.5630	0.000	1	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:Se-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(Se)	C[6](C[6]N[6]Se)(C[6]C[6]H)(COO)	N[6](C[6]C[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(Se){1|C<3>,2|H<1>}	C[6](C[6]N[6]Se)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	116.2320	0.000	1	116.2320	0.000	1	116.2320	0.000	1	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	116.3060	0.000	1	116.3060	0.000	1	114.4737	2.545	3	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O)	C[6](N[6]C[6,6a]Li)(C[6]N[6]O)(CNO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O){1|Li<5>,2|C<3>}	C[6](N[6]C[6,6a]Li)(C[6]N[6]O)(CNO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	113.5575	0.233	2	113.5575	0.054	2	114.4737	2.545	3	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(S)	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(CHN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(S){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(CHN){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,4|C<3>}	116.0790	0.000	1	116.0790	0.000	1	116.0790	0.000	1	119.3908	5.546	332	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)2(OB)	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OB){1|H<1>,2|C<3>}	118.5235	0.053	2	118.5235	0.003	2	118.5235	0.003	2	122.3582	20.380	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:2:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:As[6]-2:	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]H)(As[6]N[6])	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|As<2>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(As[6]N[6]){2|C<4>,5|C<3>}	126.1930	1.522	2	126.1930	2.316	2	126.1930	2.316	2	122.3582	20.380	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CCC){1|H<1>,2|C<3>}	120.1960	0.000	1	120.1960	0.000	1	120.1960	0.000	1	121.2542	13.708	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,5|C<3>}	120.7855	0.022	2	120.7855	0.000	2	120.7855	0.000	2	121.2542	13.708	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:P[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	N[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]N[6]I)	C[6](C[6]C[6a]C[6])(N[6]C[6a]P[6])(H){1|H<1>,1|I<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|P<3>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]N[6]I){2|C<4>,5|C<3>}	125.1495	0.538	2	125.1495	0.290	2	125.1495	0.290	2	121.2542	13.708	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:O-1:	C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6]C[5])(N[6]C[6a]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[5]S[5]2)(C[6]N[6]O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6,6]C[5])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|S<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[5]S[5]2)(C[6]N[6]O){2|H<1>,3|C<3>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,5|C<3>}	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	121.2542	13.708	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(CSS)	N[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]C)(N[6]C[6]2)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(CSS){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]O)2{1|C<2>,3|C<3>,3|H<1>}	117.1920	0.000	1	117.1920	0.000	1	117.1920	0.000	1	121.2542	13.708	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[4]-3:C[6]-3:C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|H<1>,2|C<3>}	N[6](C[4]C[4]2)(C[6]C[6]H)2{1|H<1>,2|O<1>,3|C<3>}	120.4250	0.000	1	120.4250	0.000	1	120.4250	0.000	1	121.2542	13.708	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	B[5]-3:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN)	N[6](B[5]O[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN){1|B<3>,1|C<3>,1|H<1>}	N[6](B[5]O[5]2)(C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	121.8420	0.000	1	121.8420	0.000	1	121.8420	0.000	1	121.2542	13.708	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	As[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	N[6](As[6]N[6]As)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H){1|As<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|As<3>,2|H<1>,4|C<3>}	N[6](As[6]N[6]As)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	126.7940	0.795	2	126.7940	0.632	2	126.7940	0.632	2	121.2542	13.708	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:3:	N[6]-3:C[6]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[5]C[6])(O)	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[5]C[6])(O){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	116.8710	0.000	1	116.8710	0.000	1	116.8710	0.000	1	121.2542	13.708	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:3:	N[6]-3:C[6]-3:S-1:	C[6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6a]C[6])(S)	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]S)	N[6](C[5,6]N[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]S)	C[6](N[6]C[5,6]C[6a])(C[6]C[6a]C[6])(S){1|O<1>,2|N<3>,4|C<3>}	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]S){1|C<4>,2|H<1>,4|C<3>}	N[6](C[5,6]N[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]S){2|C<4>,2|H<1>,5|C<3>}	117.2490	0.000	1	117.2490	0.000	1	117.2490	0.000	1	121.2542	13.708	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){2|C<3>,2|O<1>,3|C<4>}	N[6](C[6]C[6]H)2(CH3){3|C<3>}	119.7785	0.920	2	119.7785	0.846	2	119.7785	0.846	2	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]C[6]H)2(CCHH){3|C<3>}	120.7200	0.485	2	120.7200	0.235	2	120.6957	0.289	12	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){3|C<3>}	120.8065	0.383	2	120.6908	0.327	10	120.6957	0.289	12	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){3|C<3>}	120.6619	0.628	8	120.6908	0.327	10	120.6957	0.289	12	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(N[6]C[6,6a]C)(H)	C[6](C[6]C[6,6a]H)(C[5]C[5]2)(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[5]C[6])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[5]C[5]2)(C[6]N[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	122.8300	0.000	1	122.8300	0.000	1	122.8300	0.000	1	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]B)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]B)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|B<3>,1|C<3>,1|H<1>}	121.3740	0.000	1	121.3740	0.000	1	121.3740	0.000	1	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	120.5950	1.730	2	120.5950	2.991	2	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<3>}	120.4380	0.000	1	120.4380	0.000	1	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	121.9410	0.000	1	121.9410	0.000	1	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	121.6640	0.000	1	121.6640	0.000	1	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<3>}	120.6694	0.498	13	120.6694	0.248	13	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	120.5914	0.373	5	120.7361	0.205	7	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){3|C<3>}	121.0980	0.553	2	120.7361	0.205	7	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	120.6053	1.537	3	120.8714	0.903	20	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<3>}	120.2690	0.000	1	120.8714	0.903	20	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){3|C<3>}	120.9589	0.885	16	120.8714	0.903	20	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N[6](C[6]C[6]Rh)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]Rh)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>}	121.1610	0.000	1	121.1610	0.000	1	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]O)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	119.0025	1.661	2	119.0025	2.759	2	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]O)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	120.5240	0.000	1	120.5240	0.000	1	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Br<1>,1|C<3>,1|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Br<1>,2|C<3>}	120.3525	0.025	2	120.3525	0.001	2	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<3>}	120.1127	0.420	7	120.1127	0.177	7	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	120.6132	0.589	5	120.6132	0.347	5	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	119.9140	0.428	5	119.9140	0.183	5	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(CN[5]O)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(CN[5]O){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	122.9740	0.000	1	122.9740	0.000	1	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	124.1825	0.360	2	124.1825	0.130	2	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(COO)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(COO){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	122.3050	0.000	1	122.3050	0.000	1	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CC[6a]O)	N[6](C[6]C[6]H)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<1>}	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CC[6a]O){1|C<4>,3|C<3>}	N[6](C[6]C[6]H)(C[6]N[6]S)(CCHH){2|C<3>}	122.2680	0.000	1	122.2680	0.000	1	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CC[6a]O)	N[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<1>}	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CC[6a]O){1|C<4>,3|C<3>}	N[6](C[6]C[6]H)(C[6]N[6]S)(CH3){2|C<3>}	121.4830	0.000	1	121.4830	0.000	1	120.7801	1.096	74	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(C[6]N[6]H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]2)(N[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	118.9692	2.771	4	118.9692	7.677	4	118.9692	7.677	4	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	120.9130	0.062	2	120.9130	0.004	2	120.8790	0.260	28	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.3868	0.843	4	120.3868	0.711	4	120.8790	0.260	28	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCoC)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCoC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.0666	0.498	9	121.0666	0.248	9	120.8790	0.260	28	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	N[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCCH){1|C<3>,1|H<1>,1|N<3>}	121.1180	0.000	1	121.1180	0.000	1	120.8790	0.260	28	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	120.8995	0.439	2	120.8995	0.193	2	120.8790	0.260	28	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	120.7153	0.489	3	120.7153	0.239	3	120.8790	0.260	28	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.2430	0.000	1	121.2430	0.000	1	120.8790	0.260	28	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NIrC)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NIrC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.8280	0.000	1	120.8280	0.000	1	120.8790	0.260	28	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NNiC)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NNiC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.9273	0.465	4	120.9273	0.217	4	120.8790	0.260	28	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(NZnC)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(NZnC){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.7970	0.000	1	120.7970	0.000	1	120.8790	0.260	28	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[5]C[5]2)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(N[5]C[5]2){1|Rh<6>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<3>}	119.6690	0.000	1	119.6690	0.000	1	119.3003	0.503	3	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H)	C[6](C[6]C[6]Ir)(C[6]N[6]H)(N[5]C[5]2)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]Ir)(C[6]N[6]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	118.4830	0.000	1	118.4830	0.000	1	119.3003	0.503	3	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H)	C[6](C[6]C[6]Ir)(C[6]N[6]H)(N[5]C[5]2)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]Ir)(C[6]N[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.7490	0.000	1	119.7490	0.000	1	119.3003	0.503	3	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]N[6])(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2)	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]N[6])(N[6]C[6]B)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2){1|B<4>,1|H<1>,2|O<1>,3|C<3>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>,1|N<3>}	121.5220	0.448	7	121.5220	0.201	7	121.5220	0.201	7	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]N[6])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	118.7060	0.000	1	118.7060	0.000	1	118.7060	0.000	1	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|N<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<2>,2|C<3>}	124.5750	0.000	1	124.5750	0.000	1	124.5750	0.000	1	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	122.3480	0.000	1	122.3480	0.000	1	122.3480	0.000	1	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H){1|H<1>,3|C<3>,3|C<4>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	122.9810	0.000	1	122.9810	0.000	1	122.9810	0.000	1	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:S-4:	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H){1|C<4>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,6|C<3>}	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	122.3230	0.264	2	122.3230	0.070	2	122.3230	0.070	2	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]N[6])(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|Cd<4>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]N[6])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	121.1815	0.286	2	121.1815	0.082	2	121.1815	0.082	2	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	N[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:B-4:	C[6](C[6]N[6a]C[6])(N[6]C[6]B)(H)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]N[6a]C[6])(N[6]C[6]B)(H){2|H<1>,3|C<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|B<4>,1|H<1>,2|O<1>,3|C<3>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>,1|N<3>}	121.6389	0.190	12	121.6389	0.036	12	121.6389	0.036	12	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:N-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(N)	C[6](C[6]N[6]N)(C[6]N[6]O)(NCdC)	N[6](C[6]C[6]N)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(N){1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]N)(C[6]N[6]O)(NCdC){1|C<3>,2|C<4>}	N[6](C[6]C[6]N)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	119.0490	0.000	1	119.0490	0.000	1	119.0490	0.000	1	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,2|N<3>,2|O<1>}	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2{1|N<3>,3|C<3>,3|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	116.7970	0.865	2	116.7970	0.749	2	116.7970	0.749	2	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(O)	C[6](C[5a]C[5a,6a]N[5a])(C[6]N[6]O)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(O){1|C<3>,2|N<3>,2|O<1>}	C[6](C[5a]C[5a,6a]N[5a])(C[6]N[6]O)2{1|H<1>,2|C<4>,4|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	116.7535	0.376	4	116.7535	0.141	4	116.7535	0.141	4	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCO)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){3|C<3>}	118.3400	0.000	1	118.3400	0.000	1	118.3400	0.000	1	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CCH)	N[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CCH){1|C<2>,1|C<3>,1|C<4>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<2>,2|C<3>}	117.1920	0.000	1	117.1920	0.000	1	116.8866	0.596	68	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	N[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|C<4>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<2>,2|C<3>}	117.8810	0.000	1	117.8810	0.000	1	116.8866	0.596	68	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(CHO)	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|S<1>,2|N<3>}	C[6](C[6]N[6]N)(C[6]N[6]O)(CHO){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<4>,2|C<3>}	116.5350	0.000	1	116.5350	0.000	1	116.8866	0.596	68	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CCH)	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCH){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH){1|C<4>,2|C<3>}	116.4585	0.222	4	116.4585	0.049	4	116.8866	0.596	68	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CCH)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCH){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	117.6439	1.086	8	117.6439	1.180	8	116.8866	0.596	68	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CCN)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCN){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	117.0368	0.847	10	117.0368	0.717	10	116.8866	0.596	68	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CCO)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCO){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	117.1822	1.598	4	117.1822	2.554	4	116.8866	0.596	68	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[5a]H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CC[5a]H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	116.5741	0.451	8	116.5741	0.203	8	116.8866	0.596	68	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH){1|H<1>,2|C<3>}	117.4290	0.000	1	117.2527	0.236	3	116.8866	0.596	68	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH){1|C<4>,2|C<3>}	117.1645	0.653	2	117.2527	0.236	3	116.8866	0.596	68	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]H)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	116.6044	0.393	27	116.6044	0.155	27	116.8866	0.596	68	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CNS)	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<2>,1|S<1>}	C[6](C[6]N[6]O)2(CNS){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<4>,2|C<3>}	117.9280	0.000	1	117.9280	0.000	1	116.8866	0.596	68	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]2)(C[6]N[6]O)2{1|C<3>,2|C<4>,2|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	118.0973	0.476	6	118.0973	0.226	6	118.0973	0.226	6	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)	N[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6]O)2(CH3){1|C<4>,1|O<2>,2|C<3>}	119.0410	0.000	1	119.0410	0.000	1	119.0410	0.000	1	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	117.3840	1.269	6	116.9195	1.266	10	116.9195	1.266	10	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{2|C<4>,2|N<3>,3|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	116.2227	0.189	4	116.9195	1.266	10	116.9195	1.266	10	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]B)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(BOO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]B)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(BOO){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	123.2150	0.000	1	123.2150	0.000	1	123.2150	0.000	1	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|N<2>,4|C<3>}	125.8850	0.000	1	125.8850	0.000	1	125.1048	0.645	30	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|F<1>,4|C<3>}	125.5320	0.000	1	125.0548	0.560	21	125.1048	0.645	30	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	125.0309	0.760	20	125.0548	0.560	21	125.1048	0.645	30	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	125.6570	0.534	5	125.6570	0.286	5	125.1048	0.645	30	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<1>}	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	123.7800	0.800	2	124.2747	1.054	3	125.1048	0.645	30	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<2>}	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	125.2640	0.000	1	124.2747	1.054	3	125.1048	0.645	30	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(NCH){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	122.2330	0.321	3	122.2330	0.103	3	122.2330	0.103	3	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	N[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	117.4505	0.105	2	117.4505	0.011	2	117.2433	0.091	4	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	N[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	116.8230	0.000	1	116.8230	0.000	1	117.2433	0.091	4	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	N[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	117.2490	0.000	1	117.2490	0.000	1	117.2433	0.091	4	120.0329	7.295	283	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:B[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6a]B[6])(H)	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]H){1|B<4>,2|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	123.9730	0.000	1	123.9730	0.000	1	123.9730	0.000	1	124.1849	1.348	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	122.0160	0.000	1	122.0160	0.000	1	122.0160	0.000	1	124.1849	1.348	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[3]-4:C[6]-3:	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(COO){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){4|C<3>,5|H<1>}	124.1480	0.000	1	124.1480	0.000	1	124.4014	1.091	11	124.1849	1.348	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[3]-4:C[6]-3:	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){1|F<1>,4|C<3>,4|H<1>}	125.4365	0.002	2	124.4267	1.204	10	124.4014	1.091	11	124.1849	1.348	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:4:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[3]-4:C[6]-3:	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){4|C<3>,5|H<1>}	124.1743	1.088	8	124.4267	1.204	10	124.4014	1.091	11	124.1849	1.348	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	117.0290	0.417	2	117.0290	0.174	2	117.0290	0.174	2	116.8228	1.276	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:N[6]-3:S-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]S)	N[6](C[6]N[6]CC)(C[6]C[6]S)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(S){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]S){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]N[6]CC)(C[6]C[6]S)(H){1|C<4>,2|C<3>}	115.2420	0.000	1	115.2420	0.000	1	115.2420	0.000	1	116.8228	1.276	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:1:	N[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]N[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)	C[6](N[6]C[5,6]H)(C[6]N[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	117.4070	1.290	2	117.4070	1.663	2	117.4070	1.663	2	116.8228	1.276	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(N[6]C[5]C[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]N[6]H)(C[6]N[6]O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](C[6]C[5a]C[6])(N[6]C[5]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>,2|O<2>}	C[6](C[5a]C[5a]O[5a])(C[6]N[6]H)(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	122.8910	0.000	1	122.8910	0.000	1	122.8910	0.000	1	124.3563	24.552	29	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:B[5]-3:C[6]-3:	C[6]-4:B[5]-3:C[6]-3:	C[6](C[6]C[6,6a]B[5])(N[6]B[5]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(B[5]O[5]2)(C[6]N[6]H)	N[6](C[6]C[6,6a]HH)(B[5]O[5]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]B[5])(N[6]B[5]C[6])(H){2|C<3>,2|H<1>,4|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(B[5]O[5]2)(C[6]N[6]H){1|B<3>,1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6a]HH)(B[5]O[5]2)(C[6]C[6]H){1|B<3>,2|C<3>,2|C<4>}	124.0330	0.000	1	124.0330	0.000	1	124.0330	0.000	1	124.3563	24.552	29	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO)	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO){3|C<3>}	123.0710	0.291	2	123.0710	0.085	2	123.0710	0.085	2	124.3563	24.552	29	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]O)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	122.0890	0.000	1	122.0890	0.000	1	122.0890	0.000	1	124.3563	24.552	29	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O)	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|C<4>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO){4|C<3>}	114.7220	0.000	1	114.7220	0.000	1	114.7220	0.000	1	124.3563	24.552	29	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCH)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCO)	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,3|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCO){1|C<3>,1|N<3>,1|O<1>}	116.2435	2.360	2	116.2435	5.568	2	116.2435	5.568	2	124.3563	24.552	29	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]O[6]C)	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]O[6]C){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,1|S<2>,6|C<3>}	116.0680	0.000	1	116.0680	0.000	1	116.0680	0.000	1	124.3563	24.552	29	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[5]-4:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.4950	0.028	2	120.4950	0.001	2	120.4950	0.001	2	124.3563	24.552	29	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CC[6a]O)	N[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|C<4>,4|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){4|H<1>,6|C<3>}	126.2990	0.000	1	126.2990	0.000	1	124.7523	2.049	3	124.3563	24.552	29	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CC[6a]O)	N[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,8|C<3>}	123.9790	0.714	2	123.9790	0.510	2	124.7523	2.049	3	124.3563	24.552	29	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6a]C[6])(H){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|Ga<4>,2|H<1>,4|C<3>}	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	127.3525	0.704	2	127.3525	0.495	2	127.3525	0.495	2	124.3563	24.552	29	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	In[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	N[6](In[6]In[6]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H){1|Cl<1>,1|In<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|In<4>,2|H<1>,4|C<3>}	N[6](In[6]In[6]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]H){1|Cl<1>,2|C<4>,2|N<3>,5|C<3>}	128.8792	0.461	6	128.8792	0.212	6	128.6391	0.316	12	124.3563	24.552	29	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	In[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	N[6](In[6]N[6]ClS)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|In<4>,2|H<1>,4|C<3>}	N[6](In[6]N[6]ClS)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	128.4095	0.717	4	128.4095	0.515	4	128.6391	0.316	12	124.3563	24.552	29	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	In[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	N[6](In[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|In<4>,2|H<1>,4|C<3>}	N[6](In[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	128.3780	0.424	2	128.3780	0.180	2	128.6391	0.316	12	124.3563	24.552	29	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:3:	N[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]N[6]O)(N[6]C[6]2)(CC[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	114.2800	0.000	1	114.2800	0.000	1	114.2800	0.000	1	124.3563	24.552	29	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	122.8840	0.223	2	122.8840	0.050	2	123.8253	0.436	7	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	124.2580	0.125	3	124.2580	0.016	3	123.8253	0.436	7	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	124.1175	0.176	2	124.1175	0.031	2	123.8253	0.436	7	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]S[6]C)(H)	C[6](C[6]N[6]C)(C[6]N[6]H)(COO)	N[6](S[6]N[6]OO)(C[6]C[6]H)(CC[5a]HH)	C[6](C[6]C[6]C)(N[6]S[6]C)(H){1|C<4>,1|N<2>,2|O<1>}	C[6](C[6]N[6]C)(C[6]N[6]H)(COO){1|C<4>,1|S<4>}	N[6](S[6]N[6]OO)(C[6]C[6]H)(CC[5a]HH){2|C<3>}	124.0000	0.000	1	124.0000	0.000	1	124.0000	0.000	1	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(COO)	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]H)(N[6]C[6]C)(COO){2|C<4>,2|H<1>}	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	123.6080	0.000	1	123.6080	0.000	1	123.6080	0.000	1	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6](C[6]N[6]C)(N[6]C[6]S)(H)	C[6](C[6]N[6]H)(N[6]C[6]S)(CCH)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]N[6]C)(N[6]C[6]S)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]S)(CCH){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	125.5010	0.000	1	125.5010	0.000	1	125.5010	0.000	1	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]S)	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]S){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	125.3410	0.000	1	125.3410	0.000	1	125.3410	0.000	1	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:S-4:	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.0040	0.000	1	123.0040	0.000	1	123.0040	0.000	1	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H){1|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	122.9640	0.000	1	122.9640	0.000	1	122.9640	0.000	1	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|S<2>}	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O){2|H<1>,4|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){2|H<1>,4|C<3>}	118.7860	0.000	1	118.7860	0.000	1	118.7860	0.000	1	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(CNO)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(CNO){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>}	116.2790	0.000	1	116.2790	0.000	1	116.2790	0.000	1	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)(C[6]N[6]O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]O)(C[6]N[6]O){1|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|C<3>,2|H<1>}	117.7880	0.000	1	117.7880	0.000	1	117.7880	0.000	1	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:S-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]S)(N[6]C[6]C)(O)	C[6](C[6]C[6]O)(C[6]N[6]O)(SCC)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]S)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]O)(SCC){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	116.0890	0.000	1	116.0890	0.000	1	116.0890	0.000	1	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){2|H<1>,4|C<3>}	117.4870	0.000	1	117.4870	0.000	1	117.4870	0.000	1	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|N<3>,1|O<1>}	115.7840	0.000	1	115.7840	0.000	1	116.3250	0.585	2	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	116.8660	0.000	1	116.8660	0.000	1	116.3250	0.585	2	121.5137	12.329	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:4:3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,4|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,8|H<1>}	123.8780	0.000	1	124.2105	0.221	2	124.2105	0.221	2	124.2105	0.221	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:4:3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,4|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,9|H<1>}	124.5430	0.000	1	124.2105	0.221	2	124.2105	0.221	2	124.2105	0.221	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	5:3:3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	In[4,6]-5:C[6a]-3:C[6]-3:	C[6](N[6]In[4,6]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	N[6](In[4,6]N[6]O[4]2Cl)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]In[4,6]C[6a])(C[6]C[6a]C[6])(H){1|Cl<1>,1|H<1>,1|N<3>,2|O<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|In<5>,2|H<1>,4|C<3>}	N[6](In[4,6]N[6]O[4]2Cl)(C[6a]C[6a]2)(C[6]C[6]H){1|In<5>,2|C<4>,2|H<1>,5|C<3>}	128.2195	0.149	2	128.2195	0.022	2	128.2195	0.022	2	128.2195	0.022	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:B-4:	C[6](C[6]C[6]C)(N[6]N[6]B)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H)	C[6](C[6]C[6]C)(N[6]N[6]B)(S){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|B<4>,1|C<4>,1|N<2>}	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H){1|C<3>,2|C<4>}	116.6425	1.927	2	116.6425	3.713	2	116.6425	3.713	2	116.6425	3.713	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]H)(CHHO)	N[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]H)(CHHO){1|C<3>,2|H<1>,3|O<2>}	N[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	120.1960	0.000	1	120.1960	0.000	1	120.1960	0.000	1	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:D-1:	C[6](C[6]C[6]C)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(D)	C[6](C[6]C[6]C)(N[6]C[6]D)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|D<1>,1|H<1>}	N[6](C[6]C[6]H)2(D){1|C<3>,1|C<4>,1|H<1>}	120.6290	0.000	1	120.6290	0.000	1	120.6290	0.000	1	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(CHHO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	121.0410	0.000	1	121.0410	0.000	1	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(CCHH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(CCHH){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	122.1400	0.000	1	122.1400	0.000	1	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	121.6615	0.509	23	121.6615	0.259	23	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.0780	0.000	1	122.0780	0.000	1	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	120.2505	0.437	10	120.1358	0.311	18	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	119.9925	0.684	8	120.1358	0.311	18	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.9050	0.112	2	120.9050	0.012	2	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.0630	0.000	1	120.0630	0.000	1	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	119.7118	0.175	5	119.7118	0.031	5	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.5230	0.000	1	121.5230	0.000	1	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.9594	0.244	7	120.9594	0.060	7	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	119.6320	0.000	1	119.6320	0.000	1	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	121.6530	0.040	2	121.7027	0.223	42	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	121.7052	0.484	40	121.7027	0.223	42	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	119.9038	1.439	49	120.2327	1.527	79	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.7656	0.456	29	120.2327	1.527	79	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	120.8970	0.000	1	120.2327	1.527	79	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	123.6950	0.000	1	123.6950	0.000	1	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.5362	1.558	33	120.5362	2.427	33	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.6015	0.327	2	120.6015	0.107	2	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHP)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHP){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.2820	0.000	1	120.2820	0.000	1	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHS)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHS){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.5153	1.044	3	120.5153	1.090	3	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.2140	0.000	1	120.2140	0.000	1	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]CH)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]CH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.0007	1.338	4	120.0007	1.791	4	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(CH3){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	121.3450	0.000	1	121.3450	0.000	1	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<2>,2|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>}	121.8574	0.476	27	121.8574	0.227	27	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH)	N[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>}	120.8806	0.463	9	120.8806	0.214	9	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CCHH)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(CCHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	122.5830	0.250	2	122.5830	0.063	2	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	122.3833	0.369	4	122.3833	0.136	4	120.8995	1.443	270	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	121.6850	0.000	1	121.6850	0.000	1	122.6789	1.921	49	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|C<4>}	120.6865	0.138	2	120.6865	0.019	2	122.6789	1.921	49	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|N<3>}	122.5360	0.000	1	122.5360	0.000	1	122.6789	1.921	49	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|C<4>}	121.3435	0.030	2	121.1322	0.372	10	122.6789	1.921	49	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	121.0794	0.680	8	121.1322	0.372	10	122.6789	1.921	49	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|C<4>,1|H<1>}	123.9490	0.000	1	123.9490	0.000	1	122.6789	1.921	49	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	123.4580	1.048	30	123.4580	1.098	30	122.6789	1.921	49	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|C<4>}	121.6655	0.243	4	121.6655	0.059	4	122.6789	1.921	49	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH3)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<4>}	118.5463	0.532	4	118.5463	0.283	4	119.4819	0.918	9	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(NH3)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(NH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<4>}	120.2304	0.219	5	120.2304	0.048	5	119.4819	0.918	9	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	120.5610	0.000	1	120.5610	0.000	1	120.2503	0.317	6	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|P<4>}	119.8330	0.563	2	120.1365	0.472	4	120.2503	0.317	6	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|P<4>}	121.0450	0.000	1	120.1365	0.472	4	120.2503	0.317	6	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(H){1|P<4>,2|C<3>}	119.8350	0.000	1	120.1365	0.472	4	120.2503	0.317	6	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	120.3950	0.000	1	120.3950	0.000	1	120.2503	0.317	6	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(SO3)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	120.4890	0.188	2	120.4890	0.035	2	120.8928	0.581	11	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(SO3)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	120.8540	0.000	1	120.8540	0.000	1	120.8928	0.581	11	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	120.7100	0.000	2	120.7100	0.000	2	120.8928	0.581	11	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	119.4830	0.000	1	119.4830	0.000	1	120.8928	0.581	11	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	121.3380	0.417	2	121.3380	0.174	2	120.8928	0.581	11	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(SO3)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	122.0205	0.019	2	122.0205	0.000	2	120.8928	0.581	11	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(SO3)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	120.3690	0.000	1	120.3690	0.000	1	120.8928	0.581	11	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Si)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SiSiCC)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Si)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(SiSiCC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>,1|H<1>}	121.9190	0.000	1	121.9190	0.000	1	121.9190	0.000	1	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.1085	0.865	2	118.1085	0.748	2	118.1085	0.748	2	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|N<3>,2|C<4>}	121.9770	0.000	1	122.3306	0.199	8	122.1035	0.244	12	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	122.5017	0.358	6	122.3306	0.199	8	122.1035	0.244	12	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	121.6580	0.000	1	122.3306	0.199	8	122.1035	0.244	12	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<4>,1|H<1>,1|N<3>}	121.6492	0.131	4	121.6492	0.017	4	122.1035	0.244	12	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6a]N[6])(C[6]N[6]O)(CC[6a]HH)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|N<3>,1|S<1>}	C[6](C[6]C[6a]N[6])(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|C<4>}	115.4610	0.000	1	115.4610	0.000	1	115.8640	0.683	22	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	116.4490	0.000	1	116.4490	0.000	1	115.8640	0.683	22	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(CH3)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	115.8787	0.534	6	115.8787	0.285	6	115.8640	0.683	22	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCCH)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|Cl<1>,1|N<2>,1|O<1>}	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCCH){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>}	115.6695	0.919	2	115.6695	0.844	2	115.8640	0.683	22	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|Cl<1>,1|N<2>,1|O<1>}	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>}	115.9685	0.200	2	115.9685	0.040	2	115.8640	0.683	22	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(CCHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	115.7005	0.122	2	115.7005	0.015	2	115.8640	0.683	22	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	115.7327	0.267	4	115.7327	0.071	4	115.8640	0.683	22	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(CN[5]HH)	N[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]H)(C[6]N[6]O)(CN[5]HH){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>}	113.5100	0.000	1	113.5100	0.000	1	115.8640	0.683	22	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){3|N<3>}	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	115.7610	0.000	1	115.7610	0.000	1	115.8640	0.683	22	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)2(CCHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	117.4735	0.598	2	117.4735	0.357	2	115.8640	0.683	22	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(NH3)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O){3|N<3>}	C[6](C[6]N[6]N)(C[6]N[6]O)(NH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<4>}	115.0750	0.000	1	115.0750	0.000	1	115.0750	0.000	1	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	122.3210	0.000	1	122.3210	0.000	1	122.3210	0.000	1	120.8068	3.412	386	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]C)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(NS)	C[6](C[6]C[6]C)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)2(NS){1|C<3>,1|C<4>,1|H<1>}	120.8420	0.000	1	120.8420	0.000	1	120.8420	0.000	1	121.6875	0.390	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(OMn)	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OMn){1|C<3>,1|C<4>,1|H<1>}	121.6530	0.000	1	121.6530	0.000	1	121.6530	0.000	1	121.6875	0.390	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<4>,1|H<1>,1|N<3>}	121.9430	0.000	1	122.1275	0.068	2	122.1275	0.068	2	121.6875	0.390	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<4>,1|H<1>,1|N<3>}	122.3120	0.000	1	122.1275	0.068	2	122.1275	0.068	2	121.6875	0.390	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]C)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(BMnC)	C[6](C[6]C[6]C)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|B<3>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(BMnC){1|C<3>,2|C<4>}	122.3205	0.258	2	122.3205	0.067	2	122.3205	0.067	2	121.2182	0.753	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|C<4>}	120.5357	0.468	6	120.5357	0.219	6	120.5357	0.219	6	121.2182	0.753	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]C)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	120.0600	0.000	1	120.0600	0.000	1	120.0600	0.000	1	121.2182	0.753	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-3:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(OMn2)	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<3>}	N[6](C[6]C[6]H)2(OMn2){1|C<3>,1|C<4>,1|H<1>}	121.2540	0.071	2	121.2540	0.005	2	121.2540	0.005	2	121.2182	0.753	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|C<4>,1|H<1>,1|N<3>}	121.3510	0.178	2	121.3510	0.032	2	121.3510	0.032	2	121.2182	0.753	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]C)(H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	122.8430	0.000	1	122.8430	0.000	1	122.8430	0.000	1	121.2182	0.753	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,2|H<1>,5|C<3>}	121.7620	0.505	2	121.7620	0.255	2	121.7620	0.255	2	121.2182	0.753	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]B)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(BN[6]CC)	N[6](C[6]C[6]H)2(BC[6]CC)	C[6](C[6]C[6]B)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(BN[6]CC){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6]CC){1|B<4>,1|C<3>,1|H<1>}	125.0050	0.274	2	125.0050	0.075	2	125.0050	0.075	2	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	122.1920	0.123	2	122.1920	0.015	2	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	122.5840	0.000	1	122.5840	0.000	1	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	N[6](C[6]C[6]As)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|As<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]As)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	121.1860	0.000	1	121.1860	0.000	1	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	121.6130	0.000	1	121.6130	0.000	1	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	121.3590	0.000	1	121.3590	0.000	1	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	122.1400	0.000	1	122.1400	0.000	1	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	121.5023	0.285	3	121.1470	0.339	5	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|C<4>}	120.6140	0.495	2	121.1470	0.339	5	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(CC[6a]CH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	121.6010	0.219	2	121.6010	0.048	2	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	119.4885	3.695	4	120.4849	5.565	10	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|C<4>}	121.1492	0.708	6	120.4849	5.565	10	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	119.9200	0.000	1	119.9200	0.000	1	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	121.1620	0.184	3	121.1620	0.034	3	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	120.9237	0.405	7	120.9237	0.164	7	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	122.7350	0.000	1	122.7350	0.000	1	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	123.0995	0.033	2	123.0995	0.001	2	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	122.0750	0.000	1	122.0750	0.000	1	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){2|C<4>,3|C<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	121.1296	0.353	12	121.1296	0.125	12	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[6]HH)	N[6](C[6]C[6]H)(C[6]N[6]C)(CC[6]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[6]HH){1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]C)(CC[6]HH){1|C<3>,1|C<4>}	121.2525	0.544	4	121.2525	0.296	4	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|C<4>}	124.4860	0.000	1	124.4860	0.000	1	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	122.3545	0.107	2	122.3545	0.011	2	121.3051	1.590	58	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]S)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]S)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|S<4>}	122.2965	0.155	2	122.2965	0.024	2	122.2965	0.024	2	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	119.6060	0.000	1	119.6060	0.000	1	119.6060	0.000	1	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	122.7580	0.000	1	122.7580	0.000	1	122.7580	0.000	1	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Ga-4:	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(GaCl2H)	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|C<4>}	122.2285	0.069	2	122.2285	0.005	2	122.4524	0.428	8	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Ga-4:	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(GaCl3)	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(GaCl3){1|C<3>,2|C<4>}	122.0875	0.097	2	122.0875	0.009	2	122.4524	0.428	8	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Ga-4:	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(GaH3)	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(GaH3){1|C<3>,2|C<4>}	122.7468	0.870	4	122.7468	0.756	4	122.4524	0.428	8	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Si-4:	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(SiBrCH)	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(SiBrCH){1|C<3>,1|C<4>,1|H<1>}	123.6100	0.000	1	123.6100	0.000	1	123.6100	0.000	1	121.5875	1.918	73	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	3:4:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CCCH){1|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	122.7980	0.000	1	122.7980	0.000	1	122.7980	0.000	1	122.7980	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]Si)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(SiC3)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]Si)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]H)(SiC3){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|Si<4>,1|C<3>,2|H<1>}	126.4000	0.000	1	126.4000	0.000	1	126.4000	0.000	1	122.5885	1.825	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]H)(CH3)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|N<3>,1|O<1>}	120.5840	0.000	1	120.5840	0.000	1	120.5840	0.000	1	122.5885	1.825	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	124.3760	0.000	1	124.3760	0.000	1	123.5858	0.253	5	122.5885	1.825	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	123.2900	0.000	1	123.3882	0.077	4	123.5858	0.253	5	122.5885	1.825	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	123.4210	0.331	3	123.3882	0.077	4	123.5858	0.253	5	122.5885	1.825	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	126.4450	0.000	1	126.4450	0.000	1	126.4450	0.000	1	122.5885	1.825	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	Ga[3x6]-4:C[6]-3:C[6]-3:	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]C)(H){1|C<3>,2|H<1>,3|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|C<4>}	122.8213	0.375	7	122.8213	0.141	7	122.8213	0.141	7	122.5885	1.825	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	Ga[6]-4:C[6]-3:C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Br<1>,1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	122.1758	0.179	6	122.1758	0.032	6	122.2692	0.091	23	122.5885	1.825	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	Ga[6]-4:C[6]-3:C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](Ga[6]S[6]2Cl)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Cl<1>,1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	N[6](Ga[6]S[6]2Cl)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	122.5568	0.308	6	122.5568	0.095	6	122.2692	0.091	23	122.5885	1.825	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	Ga[6]-4:C[6]-3:C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](Ga[6]Se[6]2Br)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Br<1>,2|Se<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	N[6](Ga[6]Se[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	122.1633	0.265	11	122.1633	0.070	11	122.2692	0.091	23	122.5885	1.825	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:3:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	P[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(O)	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH)	N[6](P[6]O[6]ClO)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(O){1|Cl<1>,1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH){1|C<3>,1|P<4>}	N[6](P[6]O[6]ClO)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	117.6510	0.000	1	117.6510	0.000	1	117.6510	0.000	1	122.5885	1.825	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH){1|C<4>,2|C<3>}	124.1910	0.000	1	124.1910	0.000	1	124.1910	0.000	1	120.3614	13.916	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H){1|C<4>,4|C<3>}	124.2900	0.001	2	124.2900	0.000	2	124.2900	0.000	2	120.3614	13.916	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CH3)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<4>,2|H<1>,3|C<3>}	118.4290	0.000	1	118.4290	0.000	1	117.1293	1.332	3	120.3614	13.916	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CH3)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>}	116.7340	0.000	1	116.7340	0.000	1	117.1293	1.332	3	120.3614	13.916	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH)	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH){2|C<4>}	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH){1|C<4>,5|C<3>}	116.2250	0.000	1	116.2250	0.000	1	117.1293	1.332	3	120.3614	13.916	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:Si-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]Si)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(SiC3)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]Si)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(SiC3){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|Si<4>,2|H<1>,3|C<3>}	118.3710	0.000	1	118.3710	0.000	1	118.3710	0.000	1	120.3614	13.916	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	B[3,3,5,3x6]-6:C[6]-3:C[6]-3:	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]RhH)(C[6]C[6]H)2	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]C)(H){1|Rh<6>,1|B<5>,1|C<3>,1|H<2>,2|B<6>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|B<6>,1|C<3>,1|H<1>}	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]RhH)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|S<3>,3|B<6>,4|H<1>}	122.4950	0.000	1	122.4950	0.000	1	122.4950	0.000	1	122.2447	0.263	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	Si-6:C[6]-3:C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](SiN[6]3HH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Si<6>,1|C<3>,1|C<4>}	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,2|C<4>}	121.9767	0.173	4	122.2030	0.300	6	122.2030	0.300	6	122.2447	0.263	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	6:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	Si-6:C[6]-3:C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	N[6](SiN[6]3HH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Si<6>,1|C<3>,1|H<1>}	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	122.6555	0.893	2	122.2030	0.300	6	122.2030	0.300	6	122.2447	0.263	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:4:2:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:S-4:N[6]-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]S)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(SC[6a]OO)(N[6]C[6])	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]S)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(SC[6a]OO)(N[6]C[6]){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|H<1>,1|N<2>,1|S<4>}	117.7550	0.000	1	117.7550	0.000	1	117.7550	0.000	1	117.7550	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:4:2:	3:3:3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-4:N[6]-2:	C[6]-3:C[6]-3:N-3:	C[6](C[6]N[6]C)(N[6]C[6]N)(O)	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]N[6])	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	C[6](C[6]N[6]C)(N[6]C[6]N)(O){1|N<3>,1|S<1>}	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]N[6]){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<4>,1|H<1>,1|N<2>}	114.8070	0.000	1	114.8070	0.000	1	114.8070	0.000	1	114.8070	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	3:4:3:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<4>,4|C<3>}	124.6260	0.373	2	124.6260	0.139	2	124.6260	0.139	2	124.6260	0.139	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]DH)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|D<1>,2|H<1>}	C[6](C[6]C[6]DH)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	122.4790	0.000	1	122.4790	0.000	1	120.9530	4.657	2	121.9630	3.781	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]HW)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<4>,1|W<7>,2|H<1>}	119.4270	0.000	1	119.4270	0.000	1	120.9530	4.657	2	121.9630	3.781	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|O<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	120.7715	0.074	2	120.7715	0.006	2	120.7715	0.006	2	121.9630	3.781	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]N[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	N[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(H){1|Re<6>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.3390	0.000	1	121.3390	0.000	1	121.3390	0.000	1	121.9630	3.781	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	S[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]S[6]H)(H)	C[6](S[6]C[6,6]OO)(C[6]N[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]S[6]H)(H){2|C<3>,2|O<1>}	C[6](S[6]C[6,6]OO)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	124.4765	0.347	2	124.4765	0.121	2	124.4765	0.121	2	121.9630	3.781	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(BMn2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BMn2){1|C<4>,2|H<1>}	124.1840	0.847	2	124.1840	0.718	2	124.1840	0.718	2	122.8311	1.157	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H){1|C<2>,1|H<1>,4|C<3>}	N[6](C[6]C[6]H)2(COO){1|C<2>,1|C<4>,1|H<1>}	121.6040	0.000	1	121.6040	0.000	1	121.7400	0.037	2	122.8311	1.157	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,4|C<3>}	N[6](C[6]C[6]H)2(CCO){1|H<1>,2|C<4>}	121.8760	0.000	1	121.8760	0.000	1	121.7400	0.037	2	122.8311	1.157	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:Cl-1:	B[5]-3:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(Cl)	N[6](B[5]O[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]Cl)(H){1|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(Cl){1|Cl<1>,1|B<3>,1|C<3>}	N[6](B[5]O[5]2)(C[6]C[6]H)2{2|Cl<1>,3|C<4>}	121.7858	0.762	4	121.7858	0.580	4	121.7858	0.580	4	122.8311	1.157	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	B[5a]-3:C[6]-3:C[6]-3:	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2N)(C[6]N[6]H)(H)	N[6](B[5a]N[5a]2)(C[6]C[6]H)2	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|N<3>}	C[6](C[6]C[6]2N)(C[6]N[6]H)(H){1|B<3>,1|H<1>,1|N<3>,3|C<3>}	N[6](B[5a]N[5a]2)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	124.1513	0.546	4	124.1513	0.298	4	124.1513	0.298	4	122.8311	1.157	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:B[5]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(B[5]O[5]2)(C[6]C[6]H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6a]C[6])(B[5]O[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	122.8430	0.000	1	122.8430	0.000	1	122.8430	0.000	1	122.8311	1.157	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H)	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H){1|C<4>,5|C<3>}	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	122.3165	0.429	2	122.3165	0.184	2	122.3165	0.184	2	122.8311	1.157	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2H)(C[6]N[6]H)(H){2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|C<4>}	123.0160	0.078	2	123.0160	0.006	2	122.7098	0.107	5	122.8311	1.157	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	122.7690	0.000	1	122.7690	0.000	1	122.7098	0.107	5	122.8311	1.157	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,3|C<3>,3|H<1>}	122.4310	0.000	1	122.4310	0.000	1	122.7098	0.107	5	122.8311	1.157	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(H){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	122.3170	0.000	1	122.3170	0.000	1	122.7098	0.107	5	122.8311	1.157	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[4,6]H)(N[6]C[6]C)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]N[6]H)(H)	N[6](C[6]C[4,5,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[4,6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]N[6]H)(H){1|C<2>,1|C<3>,4|C<4>}	N[6](C[6]C[4,5,6]O)(C[6]C[6]H)(CH3){1|H<1>,3|C<4>}	124.2520	0.000	1	124.2520	0.000	1	124.2520	0.000	1	122.0169	4.196	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[4,6]H)(N[6]C[6]S)(H)	C[6](C[4,6]C[4]2C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(SCOO)	C[6](C[6]C[4,6]H)(N[6]C[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[4,6]C[4]2C[6])(C[6]N[6]H)(H){1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(SCOO){1|C<4>,2|H<1>}	121.3625	0.217	2	121.3625	0.047	2	121.3625	0.047	2	122.0169	4.196	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(SCOO)	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	N[6](C[6]C[6]H)2(SCOO){1|C<4>,2|H<1>}	121.6525	0.194	2	121.6525	0.038	2	121.6525	0.038	2	122.0169	4.196	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	B[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]B[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	N[6](B[6]C[6]N)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)(N[6]B[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|B<3>,1|C<4>,2|H<1>}	N[6](B[6]C[6]N)(C[6]C[6]H)(CC3){1|C<4>,3|H<1>}	124.5410	0.809	2	124.5410	0.654	2	124.5410	0.654	2	122.0169	4.196	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7740	0.000	1	120.7740	0.000	1	121.9117	0.631	4	122.0169	4.196	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>}	122.2180	0.000	1	122.4140	0.077	2	121.9117	0.631	4	122.0169	4.196	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	122.6100	0.000	1	122.4140	0.077	2	121.9117	0.631	4	122.0169	4.196	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,4|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	122.0450	0.000	1	122.0450	0.000	1	121.9117	0.631	4	122.0169	4.196	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6]C[6]H)2(SC[6a]OO){1|C<4>,2|H<1>}	122.7730	0.093	2	122.7730	0.009	2	122.2757	0.438	6	122.0169	4.196	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	122.0850	0.000	1	122.0850	0.000	1	122.2757	0.438	6	122.0169	4.196	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|S<4>,3|C<3>}	N[6](C[6]C[6]H)2(SC[6a]OO){1|H<1>,2|C<4>}	122.4725	0.374	2	122.4725	0.140	2	122.2757	0.438	6	122.0169	4.196	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]O[6]HH)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]N[6]H)(H){1|C<3>,1|S<4>}	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO){1|C<4>,1|H<1>}	121.0780	0.000	1	121.0780	0.000	1	122.2757	0.438	6	122.0169	4.196	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	122.7700	0.000	1	122.7700	0.000	1	122.7700	0.000	1	122.0169	4.196	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	N[6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]O)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6,6]O)(O){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]N[6]O)(O){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	114.8870	0.000	1	114.8870	0.000	1	114.8870	0.000	1	122.0169	4.196	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:F-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]F)(N[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]2H)(C[6]N[6]H)(F)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]F)(N[6]C[6,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]N[6]H)(F){1|F<1>,1|H<1>,2|C<3>,3|C<4>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	120.0050	0.000	1	120.0050	0.000	1	120.0050	0.000	1	121.5099	3.217	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(N[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]H)(N[6]C[6,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	122.1920	0.000	1	122.1920	0.000	1	122.1920	0.000	1	121.5099	3.217	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]HW)(C[6]N[6]H)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	120.5985	1.176	2	120.8566	1.628	5	120.8566	1.628	5	121.5099	3.217	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]HW)(C[6]N[6]H)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|W<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HW)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	121.0287	1.566	3	120.8566	1.628	5	120.8566	1.628	5	121.5099	3.217	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]OsO)(C[6]N[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|Os<8>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	C[6](C[6]N[6]OsO)(C[6]N[6]H)(H){1|C<3>,1|C<4>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|Os<8>,3|C<4>,3|H<1>}	121.8230	0.000	1	121.8230	0.000	1	121.8230	0.000	1	121.5099	3.217	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]H)(H)	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]N[6]H)(H){1|Si<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	125.2860	0.000	1	125.2860	0.000	1	125.2860	0.000	1	121.5099	3.217	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H){1|S<4>,2|C<4>,2|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,3|C<4>}	121.5170	0.000	1	121.5170	0.000	1	121.7150	0.287	3	122.2493	2.407	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>}	121.8140	0.718	2	121.8140	0.516	2	121.7150	0.287	3	122.2493	2.407	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:S-4:	C[6](C[6]C[6,6]H)(N[6]C[6,6]S)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]H)(H)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6,6]H)(N[6]C[6,6]S)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]H)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	122.8530	0.000	1	122.8530	0.000	1	122.8530	0.000	1	122.2493	2.407	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:4:	N[6]-3:C[6]-3:H-1:	C[4x6]-4:C[6]-3:H-1:	C[4,6,6]-4:C[6]-3:C-4:	C[6](N[6]C[4,6,6]C)(C[6]C[4x6]H)(H)	C[6](C[4x6]C[4,4x6]C[5x6]H)(C[6]N[6]H)(H)	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH)	C[6](N[6]C[4,6,6]C)(C[6]C[4x6]H)(H){2|H<1>,3|C<4>}	C[6](C[4x6]C[4,4x6]C[5x6]H)(C[6]N[6]H)(H){2|N<3>,5|C<4>}	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH){1|N<3>,2|H<1>,3|C<4>}	124.7430	0.000	1	124.7430	0.000	1	124.7430	0.000	1	122.2493	2.407	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	122.5983	0.967	7	122.5983	0.936	7	122.5983	0.936	7	122.2493	2.407	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:Si-4:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]FeH)(C[6]N[6]H)(H)	N[6](C[6]C[6]FeH)(C[6]C[6]H)(SiCCN)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|Fe<9>,1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]N[6]H)(H){1|Si<4>,1|C<4>,1|H<1>}	N[6](C[6]C[6]FeH)(C[6]C[6]H)(SiCCN){1|C<4>,2|H<1>}	122.4810	0.000	3	122.4810	0.000	3	122.4810	0.000	3	122.2493	2.407	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:4:	N[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6](N[6]C[6,6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](N[6]C[6,6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(O){4|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|N<3>,2|O<1>,3|C<4>}	117.6170	0.000	1	117.6170	0.000	1	117.6170	0.000	1	122.2493	2.407	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]DH)(C[6]N[6]H)(CN)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|D<1>,2|H<1>}	C[6](C[6]C[6]DH)(C[6]N[6]H)(CN){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	122.4920	0.000	1	122.4920	0.000	1	122.4920	0.000	1	122.4920	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:2:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(CN)	N[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(CN){2|H<1>,4|C<3>}	N[6](C[6]C[6]H)2(COO){1|C<2>,1|C<4>,1|H<1>}	121.8380	0.000	1	121.8380	0.000	1	121.8380	0.000	1	122.7173	0.616	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:2:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CN){1|C<2>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	123.1570	0.269	2	123.1570	0.072	2	123.1570	0.072	2	122.7173	0.616	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:2:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>}	123.1890	0.000	1	123.1890	0.000	1	123.1890	0.000	1	123.1890	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:2:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<2>,1|C<4>,2|H<1>}	124.0140	0.000	1	124.0140	0.000	1	124.0140	0.000	1	123.9730	0.301	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:2:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(NN)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(NN){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|H<1>}	124.5000	0.000	1	124.5000	0.000	1	124.5000	0.000	1	123.9730	0.301	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:2:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-2:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]S)(N[6]C[6]S)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(SC[6a])	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]S)(N[6]C[6]S)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(SC[6a]){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>}	123.4050	0.000	1	123.4050	0.000	1	123.4050	0.000	1	123.9730	0.301	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	B[6a]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]B[6a]C[6])(N[6]C[6]H)(H)	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]B[6a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,3|O<2>}	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,1|H<1>}	121.8395	0.125	2	121.8395	0.016	2	121.8395	0.016	2	118.9298	8.432	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[4]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4]C[6])(N[6]C[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]C[6])(N[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[4]C[4]2H)(C[6]C[6]H)(C[6]N[6]H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.2635	0.303	2	120.2635	0.092	2	120.2635	0.092	2	118.9298	8.432	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	120.9570	0.000	1	120.9570	0.000	1	120.3730	0.347	3	118.9298	8.432	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.0810	0.427	2	120.0810	0.182	2	120.3730	0.347	3	118.9298	8.432	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C[6])(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[3x6]H)(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6,6]C[6])(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[3x6]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	119.9055	0.197	2	119.9055	0.039	2	119.9055	0.039	2	118.9298	8.432	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.8880	0.000	1	122.8880	0.000	1	122.8075	0.013	2	118.9298	8.432	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	122.7270	0.000	1	122.7270	0.000	1	122.8075	0.013	2	118.9298	8.432	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|Ni<5>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H){1|P<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6]H)2(H){1|Ni<5>,1|C<4>,2|C<3>}	120.4330	0.000	1	120.4330	0.000	1	120.4330	0.000	1	118.9298	8.432	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	116.1940	0.475	4	116.1940	0.226	4	116.0360	0.294	5	118.9298	8.432	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CHO)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CHO){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	115.4040	0.000	1	115.4040	0.000	1	116.0360	0.294	5	118.9298	8.432	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5])(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2){2|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,2|H<1>}	114.1515	1.108	2	114.1515	1.228	2	114.1515	1.228	2	118.9298	8.432	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O){1|N<3>,1|O<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	123.8720	0.068	2	123.8720	0.005	2	123.8720	0.005	2	123.4772	0.144	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	123.1995	0.404	2	123.1995	0.163	2	123.3644	0.125	7	123.4772	0.144	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,3|C<3>,3|H<1>}	124.0060	0.000	1	123.4304	0.127	5	123.3644	0.125	7	123.4772	0.144	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	123.2865	0.178	4	123.4304	0.127	5	123.3644	0.125	7	123.4772	0.144	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,2|C<3>}	122.5180	0.122	2	122.5180	0.015	2	122.4715	0.345	15	120.8043	7.425	37	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	121.5525	0.422	2	121.5525	0.178	2	122.4715	0.345	15	120.8043	7.425	37	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CNO)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	123.8750	0.000	1	123.8750	0.000	1	122.4715	0.345	15	120.8043	7.425	37	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){1|C<4>,4|C<3>}	N[6](C[6]C[6]H)2(CCHH){1|C<4>,2|C<3>}	122.4243	0.290	6	122.4243	0.084	6	122.4715	0.345	15	120.8043	7.425	37	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){1|C<4>,4|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,2|C<3>}	122.6277	0.386	4	122.6277	0.149	4	122.4715	0.345	15	120.8043	7.425	37	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO)	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]H)2(CCHH){1|C<4>,2|N<3>}	121.3385	0.103	2	121.3385	0.011	2	121.3385	0.011	2	120.8043	7.425	37	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]B)(H)	C[6](C[6]C[6]PdH)(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6a]C[6])(N[6]C[6]B)(H){1|Pd<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]PdH)(C[6a]C[6a]2)(C[6]N[6]H){1|B<4>,1|H<1>,1|P<4>,4|C<3>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<4>,2|C<3>}	123.6635	0.029	2	123.6635	0.001	2	123.6635	0.001	2	120.8043	7.425	37	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|Ni<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	N[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	120.7585	0.208	4	120.7585	0.043	4	121.5814	3.418	5	120.8043	7.425	37	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.8730	0.000	1	124.8730	0.000	1	121.5814	3.418	5	120.8043	7.425	37	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](C[5]C[5,6a]N[5]H)(C[6]N[6]O)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|N<4>,2|O<1>}	C[6](C[5]C[5,6a]N[5]H)(C[6]N[6]O)2{4|C<3>,4|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	116.2855	0.158	2	116.2855	0.025	2	116.9569	0.332	8	120.8043	7.425	37	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](C[5]C[5]2H)(C[6]N[6]O)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[5]C[5]2H)(C[6]N[6]O)2{1|H<1>,1|N<4>,1|O<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	117.1807	0.469	6	117.1807	0.220	6	116.9569	0.332	8	120.8043	7.425	37	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CN[6a]H)	N[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CN[6a]H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	116.6160	0.000	1	116.6160	0.000	1	116.6160	0.000	1	120.8043	7.425	37	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	C[6](C[6]C[6]2O)(C[6]N[6]O)2	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6]2O)(C[6]N[6]O)2{1|C<3>,2|C<4>,2|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	117.1365	0.062	2	117.1365	0.004	2	117.1365	0.004	2	120.8043	7.425	37	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	124.1160	0.158	2	124.1160	0.025	2	124.1160	0.025	2	120.8043	7.425	37	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:4:3:	N[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	125.1750	0.000	1	125.1750	0.000	1	125.1750	0.000	1	124.3072	0.461	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:4:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	124.3900	0.000	1	124.3900	0.000	1	124.3183	0.240	4	124.3072	0.461	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:4:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	124.7960	0.000	1	124.7960	0.000	1	124.3183	0.240	4	124.3072	0.461	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:4:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]O)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	124.4540	0.000	1	124.4540	0.000	1	124.3183	0.240	4	124.3072	0.461	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:4:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]O)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<4>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	123.6330	0.000	1	123.6330	0.000	1	124.3183	0.240	4	124.3072	0.461	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:4:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]N)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(NOO){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	123.3950	0.000	1	123.3950	0.000	1	123.3950	0.000	1	124.3072	0.461	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|N<3>}	120.7060	0.000	1	120.7060	0.000	1	120.7060	0.000	1	120.7060	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	123.4500	0.000	1	123.4500	0.000	1	123.4500	0.000	1	120.5697	6.259	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	4:3:3:	N[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCC)	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCC){1|C<3>,1|C<4>,2|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	119.1295	0.272	2	119.1295	0.074	2	119.1295	0.074	2	120.5697	6.259	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|S<4>,2|N<3>,4|C<3>,5|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	125.5490	0.000	1	125.5490	0.000	1	125.5490	0.000	1	120.3653	9.301	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	124.2830	0.000	1	124.2830	0.000	1	124.2830	0.000	1	120.3653	9.301	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	121.3455	0.112	2	121.3455	0.013	2	121.2680	0.024	3	120.3653	9.301	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]N[6]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|N<3>}	121.1130	0.000	1	121.1130	0.000	1	121.2680	0.024	3	120.3653	9.301	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CN[5]O)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]H)(CN[5]O){1|C<3>,2|C<4>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3){1|C<4>,4|C<3>}	124.7140	0.000	1	124.7140	0.000	1	124.7140	0.000	1	120.3653	9.301	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)	C[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|S<4>,4|H<1>,6|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	125.1900	0.000	1	125.1900	0.000	1	125.1900	0.000	1	120.3653	9.301	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	119.7340	0.000	1	119.7340	0.000	1	119.7340	0.000	1	120.3653	9.301	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	4:3:4:	N[6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-3:	C[5,6,6]-4:C[6]-3:C-4:	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]C)(O)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(CHH)	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH)	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]C)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(CHH){1|H<1>,2|C<3>,3|C<4>}	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH){2|C<3>,3|C<4>,3|H<1>}	117.8213	0.252	8	117.8213	0.064	8	117.8213	0.064	8	120.3653	9.301	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:4:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]C)(N[6]C[6]B)(H)	C[6](C[6]C[6]2H)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(BClFe)	C[6](C[6]C[6]C)(N[6]C[6]B)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]H)(CH3){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(BClFe){3|C<4>}	123.5585	0.436	2	123.5585	0.190	2	123.5585	0.190	2	123.5490	0.083	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:4:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	N[6](C[6]C[6]H)2(CNO){3|C<4>}	123.5395	0.243	2	123.5395	0.059	2	123.5395	0.059	2	123.5490	0.083	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]PdO)(C[6]N[6]H)(CH3)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|Pd<5>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]PdO)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pd<5>,2|C<4>}	122.4600	0.000	1	122.4600	0.000	1	122.4600	0.000	1	123.1748	0.315	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH)	N[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCHH){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6]C[6]H)2(SC[6a]OO){1|H<1>,2|C<4>}	123.8000	0.219	2	123.8000	0.048	2	123.3178	0.241	5	123.1748	0.315	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]HH)	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]HH){1|S<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	122.9963	0.265	3	122.9963	0.070	3	123.3178	0.241	5	123.1748	0.315	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:4:	3:4:3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCCH)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	126.1800	0.000	1	126.1800	0.000	1	126.1800	0.000	1	126.1800	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:3:4:	4:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){1|Si<3>,1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|Si<3>,1|H<1>,2|C<4>}	123.3470	0.000	1	123.3470	0.000	1	123.3470	0.000	1	123.3470	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:1:	4:4:3:	3:3:3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]H)(C[5]C[5]N[5]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[5]C[5]N[5]H)(C[6]N[6]H){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6]H)2(CCO){1|H<1>,2|C<4>}	123.2390	0.000	1	123.2390	0.000	1	123.2390	0.000	1	123.2390	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	2:3:2:	3:3:1:	N[6]-3:C[6]-3:N-2:	S[6]-2:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]S[6]N)(NO)	C[6](S[6]C[6,6a])(C[6]N[6]N)(NO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]N)(NO){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]N)(NO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	119.7230	0.000	1	119.7230	0.000	1	119.7230	0.000	1	119.7230	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:2:2:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]S)(N[6]C[6]H)(SNi)	C[6](C[6]N[6]S)(N[6]C[6])(SNi)	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SNi){1|C<3>,1|C<4>}	C[6](C[6]N[6]S)(N[6]C[6])(SNi){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|N<2>,1|S<2>}	116.2370	0.000	1	116.2370	0.000	1	116.6850	0.370	8	116.6850	0.370	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:2:2:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]S)(N[6]C[6]H)(SNi)	C[6](C[6]N[6]S)(N[6]C[6])(SNi)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SNi){1|C<3>,1|H<1>}	C[6](C[6]N[6]S)(N[6]C[6])(SNi){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<2>}	116.5320	0.538	4	116.5320	0.290	4	116.6850	0.370	8	116.6850	0.370	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:2:2:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]S)(N[6]C[6]H)(SPd)	C[6](C[6]N[6]S)(N[6]C[6])(SPd)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SPd){1|C<3>,1|H<1>}	C[6](C[6]N[6]S)(N[6]C[6])(SPd){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<2>}	117.5380	0.000	1	117.5380	0.000	1	116.6850	0.370	8	116.6850	0.370	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:2:2:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]S)(N[6]C[6]H)(SPt)	C[6](C[6]N[6]S)(N[6]C[6])(SPt)	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SPt){1|C<3>,1|C<4>}	C[6](C[6]N[6]S)(N[6]C[6])(SPt){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|N<2>,1|S<2>}	116.2050	0.000	1	116.2050	0.000	1	116.6850	0.370	8	116.6850	0.370	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:2:2:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]S)(N[6]C[6]H)(SPt)	C[6](C[6]N[6]S)(N[6]C[6])(SPt)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SPt){1|C<3>,1|H<1>}	C[6](C[6]N[6]S)(N[6]C[6])(SPt){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<2>}	117.3720	0.000	1	117.3720	0.000	1	116.6850	0.370	8	116.6850	0.370	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(N[6]N[6]H)(SCu)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]S)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(SCu){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|N<2>}	N[6](C[6]C[6]S)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	114.5660	0.055	2	114.5660	0.003	2	114.5660	0.003	2	114.5660	0.003	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.8240	0.576	2	118.8240	0.331	2	118.6617	0.517	7	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	118.9625	0.089	4	118.9625	0.008	4	118.6617	0.517	7	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CW)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CW){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	117.1340	0.000	1	117.1340	0.000	1	118.6617	0.517	7	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	115.6960	0.000	1	115.6960	0.000	1	115.9013	1.366	3	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)2(H){1|Br<1>,1|C<3>,1|H<1>}	116.0040	1.633	2	116.0040	2.668	2	115.9013	1.366	3	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Cl<1>,1|C<3>}	116.3330	0.000	1	116.3330	0.000	1	116.3330	0.000	1	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.7795	0.739	2	118.7795	0.546	2	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5])	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	116.8530	0.045	2	116.8530	0.002	2	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a])	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	117.5320	0.000	1	117.5320	0.000	1	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.0110	0.000	1	118.0110	0.000	1	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	117.4730	0.707	2	117.5277	0.175	4	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	117.5825	0.112	2	117.5277	0.175	4	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]N)2(H){1|Br<1>,1|C<3>,1|H<1>}	116.8525	1.026	2	117.9010	1.028	7	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	117.5795	0.155	2	117.9010	1.028	7	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	118.8143	0.302	3	117.9010	1.028	7	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	117.6430	0.000	1	117.9445	0.097	4	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	118.0450	0.292	3	117.9445	0.097	4	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	117.7183	0.339	3	117.7183	0.115	3	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]N[6]N)2(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){3|N<3>}	C[6](C[6]N[6]N)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	120.4500	0.000	1	120.4500	0.000	1	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	117.9650	1.521	3	117.9650	2.315	3	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	116.2500	0.000	1	116.2500	0.000	1	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NP[6])	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NP[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	116.1670	0.000	1	116.1670	0.000	1	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NPt)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NPt){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	116.8090	0.000	1	116.8090	0.000	1	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	116.3155	0.151	2	116.3155	0.023	2	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	115.8887	2.108	3	115.8887	4.443	3	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	116.2193	0.430	7	116.1705	0.134	23	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|I<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|I<1>}	116.2040	0.414	5	116.1705	0.134	23	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	116.1243	0.332	11	116.1705	0.134	23	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	116.8650	0.267	2	117.1082	0.094	10	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	117.1690	0.300	8	117.1082	0.094	10	117.0149	1.195	69	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(NC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	119.7580	0.000	1	119.7580	0.000	1	118.6560	2.429	2	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(NC)	C[6](C[6]C[6]N)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|C<4>,1|H<1>}	117.5540	0.000	1	117.5540	0.000	1	118.6560	2.429	2	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	119.0930	0.000	1	119.0930	0.000	1	118.4407	2.893	58	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]Ir)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Ir)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	120.0060	0.000	1	120.0060	0.000	1	118.4407	2.893	58	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	C[6](C[6]N[6]O)2(H)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]N[6]O)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	120.0487	0.506	21	120.0487	0.256	21	118.4407	2.893	58	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	C[6](C[6]N[6]O)2(H)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|N<2>,1|O<2>,1|S<2>}	C[6](C[6]N[6]O)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	120.2160	0.000	1	120.2160	0.000	1	118.4407	2.893	58	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa)	C[6](C[6]N[6]O)2(H)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]O)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	117.2505	0.139	2	116.6845	0.489	4	118.4407	2.893	58	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa)	C[6](C[6]N[6]O)2(H)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa){1|N<3>,1|O<2>,1|S<1>}	C[6](C[6]N[6]O)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	116.1185	0.408	2	116.6845	0.489	4	118.4407	2.893	58	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OCo)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OCo){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	115.0660	0.000	1	115.0660	0.000	1	118.4407	2.893	58	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OFe)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OFe){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	116.6450	0.485	4	116.6450	0.235	4	118.4407	2.893	58	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	119.2533	0.315	3	119.2533	0.099	3	118.4407	2.893	58	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	118.8440	0.000	1	118.8440	0.000	1	118.4407	2.893	58	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	119.1710	0.000	1	119.1710	0.000	1	118.4407	2.893	58	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	119.0223	0.295	6	119.0223	0.087	6	118.4407	2.893	58	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi)	C[6](C[6]N[6]O)2(H)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]O)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	116.7070	0.344	2	116.7220	0.080	6	118.4407	2.893	58	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi)	C[6](C[6]N[6]O)2(H)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi){1|N<3>,1|O<2>,1|S<1>}	C[6](C[6]N[6]O)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	116.7295	0.306	4	116.7220	0.080	6	118.4407	2.893	58	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OZn)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OZn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	116.3244	0.438	8	116.3244	0.192	8	118.4407	2.893	58	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SC)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	118.0592	3.302	4	118.0592	10.905	4	116.6486	2.313	27	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SCd)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	116.2153	0.369	3	116.2153	0.136	3	116.6486	2.313	27	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	116.0847	0.944	6	116.0847	0.891	6	116.6486	2.313	27	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	115.8295	0.091	2	115.8295	0.008	2	116.6486	2.313	27	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu)	C[6](C[6]N[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]N[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]S)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	116.4095	0.517	2	116.4095	0.267	2	116.6486	2.313	27	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SFe)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SFe){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	116.4670	0.000	1	116.4670	0.000	1	116.6486	2.313	27	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SIr)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SIr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	116.2740	0.000	1	116.2740	0.000	1	116.6486	2.313	27	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SMo)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SMo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	114.9190	0.000	1	114.9190	0.000	1	116.6486	2.313	27	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SPt)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SPt){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	116.8335	0.370	2	116.8335	0.137	2	116.6486	2.313	27	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SRe)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SRe){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	117.6320	0.000	1	117.6320	0.000	1	116.6486	2.313	27	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SRh)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SRh){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	116.4450	0.000	1	116.4450	0.000	1	116.6486	2.313	27	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SS)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	119.1060	0.000	1	119.1060	0.000	1	116.6486	2.313	27	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SZn)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SZn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	116.5665	0.301	2	116.5665	0.090	2	116.6486	2.313	27	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(SC)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(SC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	119.2731	0.736	17	119.2731	0.542	17	119.4345	0.554	21	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(SS)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(SS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	120.1205	0.162	4	120.1205	0.026	4	119.4345	0.554	21	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(SeCl)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	N[6](C[6]C[6]Se)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(SeCl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]Se)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.0880	0.000	1	121.0880	0.000	1	121.0880	0.000	1	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	122.3140	0.783	2	122.3140	0.614	2	122.3140	0.614	2	117.7954	2.924	191	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(OSn)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(OSn)	C[6](C[6]C[6]H)(N[6]C[6]O)(OSn){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]O)(OSn){1|C<3>,2|H<1>}	117.2210	0.566	2	117.2210	0.320	2	117.2210	0.320	2	117.1146	0.698	18	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]N)(SIr)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(NIr)	C[6](C[6]C[6]H)(N[6]C[6]N)(SIr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(NIr){1|C<3>,2|H<1>}	119.4520	0.000	1	119.4520	0.000	1	119.4520	0.000	1	117.1146	0.698	18	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(SCr)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OCr)	C[6](C[6]C[6]H)(N[6]C[6]O)(SCr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OCr){1|C<3>,2|H<1>}	116.5170	0.983	3	116.5170	0.966	3	116.9446	0.402	15	117.1146	0.698	18	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(SIr)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OIr)	C[6](C[6]C[6]H)(N[6]C[6]O)(SIr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OIr){1|C<3>,2|H<1>}	117.9840	0.000	1	117.9840	0.000	1	116.9446	0.402	15	117.1146	0.698	18	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(SMg)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OMg)	C[6](C[6]C[6]H)(N[6]C[6]O)(SMg){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OMg){1|C<3>,2|H<1>}	115.9840	0.000	1	115.9840	0.000	1	116.9446	0.402	15	117.1146	0.698	18	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(SPd)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OPd)	C[6](C[6]C[6]H)(N[6]C[6]O)(SPd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OPd){1|C<3>,2|H<1>}	117.3705	0.542	2	117.3705	0.294	2	116.9446	0.402	15	117.1146	0.698	18	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(SRu)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(ORu)	C[6](C[6]C[6]H)(N[6]C[6]O)(SRu){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(ORu){1|C<3>,2|H<1>}	116.8285	0.298	2	116.8285	0.089	2	116.9446	0.402	15	117.1146	0.698	18	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(SSn)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OSn)	C[6](C[6]C[6]H)(N[6]C[6]O)(SSn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OSn){1|C<3>,2|H<1>}	117.2270	0.038	2	117.2270	0.001	2	116.9446	0.402	15	117.1146	0.698	18	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(SZn)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OZn)	C[6](C[6]C[6]H)(N[6]C[6]O)(SZn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OZn){1|C<3>,2|H<1>}	116.9495	0.264	4	116.9495	0.069	4	116.9446	0.402	15	117.1146	0.698	18	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(OCd)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]2)(OCd){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cd<5>,3|C<3>,3|H<1>}	114.6730	0.000	1	114.2365	0.381	2	114.5917	0.569	3	117.1110	6.886	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(OCd)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]2)(OCd){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cd<6>,3|C<3>,3|H<1>}	113.8000	0.000	1	114.2365	0.381	2	114.5917	0.569	3	117.1110	6.886	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(OCu)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]2)(OCu){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cu<5>,3|C<3>,3|H<1>}	115.3020	0.000	1	115.3020	0.000	1	114.5917	0.569	3	117.1110	6.886	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	I-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]I)(OC)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]I)(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|I<3>}	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	120.5210	0.178	2	120.5210	0.032	2	120.5210	0.032	2	117.1110	6.886	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(SFe)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(CFeO)	C[6](C[6]C[6]H)(N[6]C[6]C)(SFe){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CFeO){1|C<3>,2|H<1>}	117.7880	0.000	1	117.7880	0.000	1	117.7880	0.000	1	117.1110	6.886	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(SIr)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(NIrC)	C[6](C[6]C[6]H)(N[6]C[6]N)(SIr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]S)(NIrC){1|C<3>,2|H<1>}	118.6040	0.000	1	118.6040	0.000	1	118.6040	0.000	1	117.1110	6.886	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(NS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(NS){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(C[6]C[6]N){2|H<1>,4|C<3>}	115.6790	0.000	1	115.6790	0.000	1	115.6790	0.000	1	117.1110	6.886	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	118.4940	1.031	2	118.4940	1.063	2	119.9712	2.333	12	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	121.3745	0.274	6	121.3745	0.075	6	119.9712	2.333	12	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CW)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CW){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	118.6050	0.441	4	118.6050	0.195	4	119.9712	2.333	12	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(NSi)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(BH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(NSi){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]N)2(BH3){1|C<3>,2|H<1>}	120.3435	0.220	2	120.3435	0.048	2	120.3435	0.048	2	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	115.9035	1.231	2	115.9035	1.516	2	116.9531	1.368	15	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	116.5310	0.366	2	116.5310	0.134	2	116.9531	1.368	15	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	116.7290	0.233	6	116.7290	0.054	6	116.9531	1.368	15	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6])	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	116.5020	0.417	2	116.5020	0.174	2	116.9531	1.368	15	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(NH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]N)2(CH3){1|C<3>,2|H<1>}	119.5780	0.054	2	119.5780	0.003	2	116.9531	1.368	15	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	116.8930	0.000	1	116.8930	0.000	1	116.9531	1.368	15	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(NS)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(NS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	N[6](C[6]C[6]H)(C[6]C[6]N)(SC[6a]OO){1|C<3>,2|H<1>}	115.7420	0.000	1	115.7420	0.000	1	115.7420	0.000	1	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(OC)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	119.8640	0.000	1	119.8640	0.000	1	117.6654	1.312	10	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(OCo)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(OCo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	116.7240	0.000	1	116.7240	0.000	1	117.6654	1.312	10	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CSiHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CSiHH){1|C<3>,2|H<1>}	119.3370	0.000	1	119.3370	0.000	1	117.6654	1.312	10	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(OMg)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(OMg){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	116.2120	0.000	1	116.2120	0.000	1	117.6654	1.312	10	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(OMn)	C[6](C[6]N[6]O)2(H)	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(OMn){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]O)2(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	117.3375	0.490	4	117.4195	0.164	6	117.6654	1.312	10	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(OMn)	C[6](C[6]N[6]O)2(H)	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(OMn){1|N<3>,1|O<2>,1|S<1>}	C[6](C[6]N[6]O)2(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	117.5835	0.142	2	117.4195	0.164	6	117.6654	1.312	10	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(SPd)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Pd)	C[6](C[6]C[6]H)(N[6]C[6]B)(SPd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Pd){1|C<3>,2|H<1>}	118.3207	0.244	3	118.3207	0.060	3	118.8129	0.394	9	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(SPt)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[5]2Pt)	C[6](C[6]C[6]H)(N[6]C[6]B)(SPt){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[5]2Pt){1|C<3>,2|H<1>}	119.1060	0.000	1	119.1060	0.000	1	118.8129	0.394	9	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(SRh)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]RhH)	C[6](C[6]C[6]H)(N[6]C[6]B)(SRh){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]RhH){1|C<3>,2|H<1>}	118.4940	0.246	2	118.4940	0.061	2	118.8129	0.394	9	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(SRu)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Ru)	C[6](C[6]C[6]H)(N[6]C[6]B)(SRu){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Ru){1|C<3>,2|H<1>}	119.4200	0.652	3	119.4200	0.425	3	118.8129	0.394	9	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(SC[6a])	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(SC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3){1|C<3>,2|H<1>}	120.4850	0.000	1	120.4850	0.000	1	117.0464	3.703	5	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(SCu)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(SCu){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3){1|C<3>,2|H<1>}	116.1868	0.102	4	116.1868	0.010	4	117.0464	3.703	5	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	118.6730	0.000	1	118.6730	0.000	1	118.6730	0.000	1	118.1865	3.036	55	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:4:2:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:B-4:N[6]-2:	C[6](C[6]C[6]H)(N[6]N[6]B)(SCo)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]S)(BN[6]2Co)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]N[6]B)(SCo){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|B<4>,1|C<4>,1|N<2>}	N[6](C[6]C[6]S)(BN[6]2Co)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	117.4630	0.476	3	117.4630	0.226	3	117.6812	0.267	9	117.6812	0.267	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:4:2:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:B-4:N[6]-2:	C[6](C[6]C[6]H)(N[6]N[6]B)(SNi)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]S)(BN[6]2Ni)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]N[6]B)(SNi){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|B<4>,1|C<4>,1|N<2>}	N[6](C[6]C[6]S)(BN[6]2Ni)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	117.7903	0.543	6	117.7903	0.294	6	117.6812	0.267	9	117.6812	0.267	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(SC)	C[6](C[6]C[6a]O[6])(C[6]N[6]S)(H)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]S)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(SC){1|O<2>,2|F<1>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]N[6]S)(H){1|B<4>,3|C<3>}	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]S){3|C<3>,3|H<1>}	119.7010	0.000	1	119.7010	0.000	1	119.7010	0.000	1	119.7010	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(SW)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](SiC[6a]2W)(C[6]C[6]H)(C[6]C[6]S)	C[6](N[6]C[6]Si)(C[6]C[6]H)(SW){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](SiC[6a]2W)(C[6]C[6]H)(C[6]C[6]S){1|C<3>,2|H<1>}	118.8460	0.000	1	118.8460	0.000	1	118.8460	0.000	1	118.8460	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NS)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NS){1|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	116.0070	0.051	2	116.0070	0.003	2	116.0070	0.003	2	117.8852	5.642	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(OC){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<3>}	120.9490	0.000	1	120.9490	0.000	1	120.9490	0.000	1	117.8852	5.642	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:S-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(SC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]S)(SC[6a]OO)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(SC){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]S)(SC[6a]OO){1|H<1>,4|C<3>}	118.5780	0.000	1	118.5780	0.000	1	118.5780	0.000	1	117.8852	5.642	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CC){1|C<3>,3|B<6>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<2>,4|B<6>,5|H<1>}	120.5705	0.118	2	120.5705	0.014	2	121.4465	1.032	4	121.4465	1.032	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CN){1|C<3>,3|B<6>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<2>,4|B<6>,5|H<1>}	122.3225	0.112	2	122.3225	0.013	2	121.4465	1.032	4	121.4465	1.032	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]2)(N[6]C[6]H)(N[6]C[6])	C[6](C[6]N[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]2)(N[6]C[6]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]N[6]2)(N[6]C[6]H)(N[6]C[6]){3|C<3>,3|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	117.8820	0.198	2	117.8820	0.039	2	117.8820	0.039	2	118.0134	0.663	12	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(OMo)	C[6](C[6]C[6]H)(C[6]N[6]O)(OMo)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(OMo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(OMo){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	118.4580	0.119	2	118.4580	0.014	2	118.4580	0.014	2	118.0134	0.663	12	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]S)(N[6]C[6]H)(SNi)	C[6](C[6]C[6]H)(C[6]N[6]S)(SNi)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(SNi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(SNi){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|S<2>}	118.5965	0.234	2	118.5965	0.055	2	118.4836	0.489	5	118.0134	0.663	12	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]S)(N[6]C[6]H)(SPd)	C[6](C[6]C[6]H)(C[6]N[6]S)(SPd)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(SPd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(SPd){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|S<2>}	117.9775	0.863	2	117.9775	0.745	2	118.4836	0.489	5	118.0134	0.663	12	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]S)(N[6]C[6]H)(SPt)	C[6](C[6]C[6]H)(C[6]N[6]S)(SPt)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(SPt){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(SPt){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|S<2>}	119.2700	0.000	1	119.2700	0.000	1	118.4836	0.489	5	118.0134	0.663	12	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]S)(N[6]C[6]H)(SFe)	C[6](C[6]N[6]S)(N[6]C[6]H)(SFe)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SFe){1|C<3>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]H)(SFe){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<3>,1|S<2>}	117.0385	0.892	2	117.0385	0.795	2	117.0385	0.795	2	118.0134	0.663	12	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:1:	N[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(NO)	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(NO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(NO){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(NO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.9860	0.000	1	116.9860	0.000	1	116.9860	0.000	1	118.0134	0.663	12	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:3:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NH)	C[6](C[6]C[5,6]C)(C[6]N[6]N)(CN)	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NH){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]N[6]N)(CN){2|C<3>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	115.7060	0.000	1	115.7060	0.000	1	115.7060	0.000	1	115.7060	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]C)(N[6]C[6]B)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(CC)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	C[6](C[6]C[6]C)(N[6]C[6]B)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CC){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<2>,1|C<3>,1|H<1>}	120.6420	0.355	2	120.6420	0.126	2	120.6420	0.126	2	117.5122	9.497	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	C[6](C[6]C[6]C)(C[6]N[6]N)(CN)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(CN){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	113.5840	0.000	1	113.5840	0.000	1	113.9423	0.190	6	117.5122	9.497	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	N[6](C[6]C[6]C)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){2|C<4>,3|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]N)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>}	114.2085	0.112	4	114.2085	0.013	4	113.9423	0.190	6	117.5122	9.497	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){1|C<4>,4|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<2>,2|C<3>}	113.2360	0.000	1	113.2360	0.000	1	113.9423	0.190	6	117.5122	9.497	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(OMo)	C[6](C[6]C[6]H)(C[6]N[6]O)(OMo)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]O)(N[6]C[6]C)(OMo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(OMo){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	118.8925	0.180	2	118.8925	0.033	2	118.8925	0.033	2	117.5122	9.497	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(SCu)	C[6](C[6]C[6]H)(C[6]N[6]S)(OCu)	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(SCu){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(OCu){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3){1|C<3>,1|H<1>,1|O<2>}	120.2955	0.385	2	120.2955	0.149	2	119.9920	0.309	5	117.5122	9.497	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(SZn)	C[6](C[6]C[6]H)(C[6]N[6]S)(OZn)	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(SZn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(OZn){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3){1|C<3>,1|H<1>,1|O<2>}	119.7897	0.625	3	119.7897	0.390	3	119.9920	0.309	5	117.5122	9.497	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(OFe)	C[6](C[6]N[6]O)(N[6]C[6]C)(SFe)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]S)(N[6]C[6]C)(OFe){2|C<4>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(SFe){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|S<2>,2|H<1>}	118.5330	0.000	1	118.5330	0.000	1	118.5330	0.000	1	118.4952	1.273	47	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:O-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(SFe)	C[6](C[6]N[6]S)(N[6]C[6]C)(OFe)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(SFe){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(OFe){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|O<2>,2|H<1>}	119.1850	0.000	1	119.1850	0.000	1	119.1850	0.000	1	118.4952	1.273	47	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(SAg)	C[6](C[6]N[6]S)(N[6]C[6]C)(SAg)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]S)(N[6]C[6]C)(SAg){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SAg){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<2>,2|H<1>}	116.9450	0.641	10	116.9450	0.410	10	118.4790	1.319	45	118.4952	1.273	47	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo)	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<2>,2|H<1>}	118.3170	0.580	4	118.3170	0.337	4	118.4790	1.319	45	118.4952	1.273	47	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi)	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<2>,2|H<1>}	119.1436	0.882	7	119.1436	0.778	7	118.4790	1.319	45	118.4952	1.273	47	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi)	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|N<3>,1|S<2>,2|H<1>}	119.3240	0.481	6	119.3240	0.232	6	118.4790	1.319	45	118.4952	1.273	47	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi)	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SNi){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<2>,2|H<1>}	119.8770	0.000	1	119.8770	0.000	1	118.4790	1.319	45	118.4952	1.273	47	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(SPd)	C[6](C[6]N[6]S)(N[6]C[6]C)(SPd)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	C[6](C[6]N[6]S)(N[6]C[6]C)(SPd){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SPd){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<2>,2|H<1>}	119.1590	0.703	2	119.1590	0.494	2	118.4790	1.319	45	118.4952	1.273	47	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(SPd)	C[6](C[6]N[6]S)(N[6]C[6]C)(SPd)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	C[6](C[6]N[6]S)(N[6]C[6]C)(SPd){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SPd){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|N<3>,1|S<2>,2|H<1>}	118.4320	1.629	2	118.4320	2.654	2	118.4790	1.319	45	118.4952	1.273	47	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt)	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<2>,2|H<1>}	119.5155	0.117	2	119.5155	0.014	2	118.4790	1.319	45	118.4952	1.273	47	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt)	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|N<3>,1|S<2>,2|H<1>}	119.0830	0.548	3	119.0830	0.300	3	118.4790	1.319	45	118.4952	1.273	47	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt)	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SPt){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<2>,2|H<1>}	118.2270	1.361	4	118.2270	1.852	4	118.4790	1.319	45	118.4952	1.273	47	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(SW)	C[6](C[6]N[6]S)(N[6]C[6]C)(SW)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]N[6]S)(N[6]C[6]C)(SW){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SW){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<2>,2|H<1>}	118.6605	0.476	4	118.6605	0.226	4	118.4790	1.319	45	118.4952	1.273	47	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(OH)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]O)2	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<1>}	C[6](C[5a]C[5a]N[5a])(C[6]N[6]O)2{1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	116.5180	0.000	1	116.5180	0.000	1	116.5180	0.000	1	116.3846	4.257	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	115.5615	0.357	2	115.5615	0.128	2	115.4846	0.039	9	116.3846	4.257	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	115.4025	0.224	2	115.4025	0.050	2	115.4846	0.039	9	116.3846	4.257	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(OFe)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OFe){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	115.5840	0.000	1	115.5840	0.000	1	115.4846	0.039	9	116.3846	4.257	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(OMn)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OMn){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	115.5250	0.000	1	115.5250	0.000	1	115.4846	0.039	9	116.3846	4.257	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(ONi)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(ONi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	115.3310	0.000	1	115.3310	0.000	1	115.4846	0.039	9	116.3846	4.257	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(OZn)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OZn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	115.4965	0.268	2	115.4965	0.072	2	115.4846	0.039	9	116.3846	4.257	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(SMn)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SMn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	115.5995	0.298	2	115.5995	0.089	2	116.2630	1.365	3	116.3846	4.257	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(SS)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	117.5900	0.000	1	117.5900	0.000	1	116.2630	1.365	3	116.3846	4.257	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(SC)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(SC){5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,4|C<3>}	123.6520	0.000	1	123.6520	0.000	1	123.6520	0.000	1	116.3846	4.257	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(NS)	C[6](C[6]C[6,6a]C)(C[6]N[6]N)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(NS){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]N)(COO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,4|C<3>}	116.7140	0.000	1	116.7140	0.000	1	116.7140	0.000	1	116.3846	4.257	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(OCu)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(CHN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(OCu){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(CHN){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,4|C<3>}	117.1200	0.000	1	117.1200	0.000	1	117.1200	0.000	1	116.3846	4.257	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N)(N[6]C[6]O)(NH)	C[6](C[6]N[6]C)(C[6]N[6]N)(NHH)	N[6](C[6]C[6]N)(C[6]N[6]H)(OC)	C[6](C[6]C[6]N)(N[6]C[6]O)(NH){1|C<2>,1|H<1>,1|N<2>}	C[6](C[6]N[6]C)(C[6]N[6]N)(NHH){1|C<3>,1|O<2>}	N[6](C[6]C[6]N)(C[6]N[6]H)(OC){1|C<3>,1|N<3>}	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:N-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(NS)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N)	N[6](C[6a]C[6a]2)(C[6]C[6]N)2	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(NS){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N){1|C<2>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]N)2{1|C<2>,2|H<1>,4|C<3>}	116.7240	0.000	1	116.7240	0.000	1	116.7240	0.000	1	116.7240	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]C)(NC)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CCCH)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]C)(NC){5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N){1|C<4>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CCCH){1|H<1>,4|C<3>}	113.2180	0.000	1	113.2180	0.000	1	113.2180	0.000	1	117.1457	16.126	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(OH)	C[6](C[6]N[6]O)2(CNS)	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(OH){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]O)2(CNS){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<4>,2|C<3>}	121.2440	0.000	1	121.2440	0.000	1	121.2440	0.000	1	117.1457	16.126	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(OCd)	C[6](C[6]N[6]N)(C[6]N[6]O)(NCdC)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(OCd){1|N<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]N)(C[6]N[6]O)(NCdC){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	116.9750	0.000	1	116.9750	0.000	1	116.9750	0.000	1	117.1457	16.126	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	4:3:1:	C[6]-3:N[6]-3:N-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6,6]H)(NS)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6]H)(NS){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H){2|C<3>,3|C<4>,4|H<1>}	116.4510	0.000	1	116.4510	0.000	1	116.4510	0.000	1	116.4510	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:S-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo)	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo2)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo2){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<3>,2|H<1>}	116.6575	1.057	2	116.6575	1.118	2	116.6575	1.118	2	116.6575	1.118	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:4:	3:2:1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]C)(N[6]N[6]H)(SZn)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	N[6](C[6]C[6]S)(N[6]C[6])(H)	C[6](C[6]C[6]C)(N[6]N[6]H)(SZn){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,1|N<2>}	N[6](C[6]C[6]S)(N[6]C[6])(H){1|C<3>,2|C<4>}	116.7948	0.891	4	116.7948	0.794	4	116.7948	0.794	4	116.7948	0.794	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:4:	3:2:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:B-4:	C[6](C[6]C[6]C)(N[6]N[6]B)(SZn)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H)	C[6](C[6]C[6]C)(N[6]N[6]B)(SZn){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|B<4>,1|C<4>,1|N<2>}	N[6](C[6]C[6]S)(N[6]C[6])(BN[6]2H){1|C<3>,2|C<4>}	117.8300	1.546	4	117.8300	2.391	4	117.8300	2.391	4	117.8300	2.391	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	116.7040	0.134	3	116.7040	0.018	3	116.7040	0.018	3	118.0340	7.088	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(NN)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(NN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(CH3){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	122.0240	0.000	1	122.0240	0.000	1	122.0240	0.000	1	118.0340	7.088	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:4:	3:3:3:	N[6]-3:C[6]-3:S-2:	N[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]N[6]C)(SC)	C[6](N[6]C[5,6]C)(C[6]N[6]S)(CH3)	N[6](C[5,6]C[5,6]Se[5])(C[6a]C[6a]2)(C[6]C[6]S)	C[6](N[6]C[5,6]C[6a])(C[6]N[6]C)(SC){1|Se<2>,1|C<4>,3|C<3>}	C[6](N[6]C[5,6]C)(C[6]N[6]S)(CH3){3|C<3>}	N[6](C[5,6]C[5,6]Se[5])(C[6a]C[6a]2)(C[6]C[6]S){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	121.4910	0.000	1	121.4910	0.000	1	121.4910	0.000	1	121.4910	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:4:	3:4:2:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:B-4:N[6]-2:	C[6](C[6]C[6]C)(N[6]N[6]B)(SCu)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	N[6](C[6]C[6]S)(BN[6]2Cu)(N[6]C[6])	C[6](C[6]C[6]C)(N[6]N[6]B)(SCu){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|B<4>,1|C<4>,1|N<2>}	N[6](C[6]C[6]S)(BN[6]2Cu)(N[6]C[6]){1|C<3>,2|C<4>}	118.0877	0.312	9	118.0877	0.097	9	118.0877	0.097	9	118.0877	0.097	9	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CN)	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CN){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]N[6]C)(H){2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	122.7700	0.000	1	122.7700	0.000	1	122.7700	0.000	1	122.7700	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:2:	4:3:2:	3:3:1:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(SC[6a])	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CN)	N[6](C[6]C[6]N)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SC[6a]){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CN){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<4>,2|C<2>}	121.5120	0.000	1	121.5120	0.000	1	121.5120	0.000	1	121.5120	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	2:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	N[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6,6a])(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(CHN){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	116.6885	0.334	2	116.6885	0.112	2	116.6885	0.112	2	117.0170	0.181	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	2:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH)	C[6](O[6]C[6,6a])(C[6]N[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]C)(O){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	117.3455	0.015	2	117.3455	0.000	2	117.3455	0.000	2	117.0170	0.181	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	2:3:1:	3:3:4:	C[6]-3:N[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(CHH)	C[6](O[6]C[6,6])(C[6]N[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]O[6]O)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>}	C[6](O[6]C[6,6])(C[6]N[6]C)(O){1|C<4>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6]C[6]C)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>}	118.5275	0.156	2	118.5275	0.024	2	118.5275	0.024	2	118.5275	0.024	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:1:	3:3:1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]O)	C[6](C[6]C[5]N[6])(N[6]C[6])(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]O){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6]C[5]N[6])(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|N<2>,2|H<1>,2|N<3>}	119.2430	0.000	1	119.2430	0.000	1	119.2430	0.000	1	117.0547	3.965	12	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(N[6]C[6]H)(CCC)	C[6](C[6]N[6]C)(N[6]C[6])(Cl)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]Cl)(N[6]C[6]H)(CCC){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(Cl){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>}	112.4330	0.000	1	112.4330	0.000	1	112.4330	0.000	1	117.0547	3.965	12	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(C[6]C[6])(Br)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>}	C[6](C[6]N[6]N)(C[6]C[6])(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)2(H){1|Br<1>,1|C<2>,1|H<1>}	117.6660	0.000	1	117.6660	0.000	1	117.6660	0.000	1	117.0547	3.965	12	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(C[6]C[6])(H)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>}	C[6](C[6]N[6]N)(C[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]N)2(H){1|Br<1>,1|C<2>,1|H<1>}	118.7560	0.000	1	118.7560	0.000	1	118.7560	0.000	1	117.0547	3.965	12	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>}	C[6](C[6]N[6]N)(N[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<2>,2|H<1>}	116.3302	0.431	6	116.3302	0.186	6	116.3302	0.186	6	117.0547	3.965	12	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:1:	3:3:1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H)	C[6](C[6]C[5]N[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6](N[6]C[6,6a]O)(C[5]N[5]2)(C[6]N[6]H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]N[6])(N[6]C[6,6a])(H){1|O<1>,2|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	119.2890	0.372	2	119.2890	0.138	2	119.2890	0.138	2	117.0547	3.965	12	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:1:	3:3:2:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6]-3:C-2:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]H)	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CN)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(S[6]C[6,6a])(H){1|C<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CN){1|S<2>,2|H<1>,4|C<3>}	119.3705	1.678	2	119.3705	2.816	2	119.3705	2.816	2	119.3705	2.816	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]O[6]H)(N[6]C[6]C)(COO)	C[6](C[6]N[6]C)(O[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]O[6]H)(N[6]C[6]C)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(O[6]C[6])(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|O<2>,2|H<1>}	119.5950	0.000	1	119.5950	0.000	1	119.5950	0.000	1	119.5950	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:3:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6a]-3:N[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(CCH)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(CCH){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]C){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	116.9160	0.383	3	116.9160	0.147	3	116.9160	0.147	3	116.6155	3.275	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(N[6]C[6])(COO)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>}	C[6](C[6]N[6]N)(N[6]C[6])(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>}	115.6601	0.317	8	115.6601	0.101	8	115.6601	0.101	8	116.6155	3.275	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]N)(N[6]C[6]O)(NHH)	C[6](C[6]N[6]N)(N[6]C[6])(NOO)	N[6](C[6]C[6]N)2(O)	C[6](C[6]N[6]N)(N[6]C[6]O)(NHH){1|C<3>,1|N<3>}	C[6](C[6]N[6]N)(N[6]C[6])(NOO){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]N)2(O){1|N<2>,2|N<3>}	114.9740	0.044	2	114.9740	0.002	2	117.9285	11.940	4	116.6155	3.275	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]N)(N[6]C[6]O)(NOO)	C[6](C[6]N[6]N)(N[6]C[6])(NCN)	N[6](C[6]C[6]N)2(O)	C[6](C[6]N[6]N)(N[6]C[6]O)(NOO){1|C<3>,1|N<3>}	C[6](C[6]N[6]N)(N[6]C[6])(NCN){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]N)2(O){1|N<2>,2|N<3>}	120.8830	0.949	2	120.8830	0.900	2	117.9285	11.940	4	116.6155	3.275	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:3:	3:3:1:	C[6]-3:N[6]-3:S-3:	C[6]-3:N[6]-2:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]S)(N[6]C[6]H)(SFe2)	C[6](C[6]N[6]S)(N[6]C[6])(SFe2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SFe2){1|C<3>,1|H<1>}	C[6](C[6]N[6]S)(N[6]C[6])(SFe2){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<3>}	117.3605	0.056	2	117.3605	0.003	2	117.3605	0.003	2	116.6155	3.275	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:2:4:	3:3:1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]C)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a])(CF3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a])(CF3){1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	116.9930	0.000	1	116.9930	0.000	1	116.9930	0.000	1	116.9930	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(N[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(NHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|H<1>,1|N<2>}	N[6](C[6]C[6]N)(N[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	116.6490	0.000	1	116.6490	0.000	1	116.6490	0.000	1	116.6490	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]H){1|Pt<4>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	116.4010	0.000	1	116.4010	0.000	1	117.8275	4.070	2	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	119.2540	0.000	1	119.2540	0.000	1	117.8275	4.070	2	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	120.9230	0.354	2	120.9230	0.125	2	121.2190	0.325	3	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[5]C[6])(O)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[6](C[6]C[6a]C[6])(C[6]C[5]C[6])(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	121.8110	0.000	1	121.8110	0.000	1	121.2190	0.325	3	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H)	C[6](C[6]C[5]N[6])(N[6]C[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]N[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	117.5100	0.061	2	117.5100	0.004	2	117.5100	0.004	2	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,5|C<3>}	116.1310	0.000	1	116.1310	0.000	1	116.1310	0.000	1	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.4700	0.000	1	118.2606	0.108	8	118.4768	0.315	21	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.3543	0.075	6	118.2606	0.108	8	118.4768	0.315	21	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.4890	0.000	1	118.2606	0.108	8	118.4768	0.315	21	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	118.4668	0.528	4	118.6389	0.436	12	118.4768	0.315	21	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.2330	0.000	1	118.6389	0.436	12	118.4768	0.315	21	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.5344	0.736	5	118.6389	0.436	12	118.4768	0.315	21	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	119.6820	0.000	1	118.6389	0.436	12	118.4768	0.315	21	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.2130	0.000	1	118.6389	0.436	12	118.4768	0.315	21	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	118.2600	0.000	1	118.2600	0.000	1	118.4768	0.315	21	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	117.2550	0.021	3	117.2550	0.000	3	117.6252	0.549	4	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.7360	0.000	1	118.7360	0.000	1	117.6252	0.549	4	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	117.1120	0.000	1	117.1120	0.000	1	117.1120	0.000	1	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O)	C[6](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	120.3065	0.660	2	120.3065	0.435	2	120.3065	0.435	2	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	118.6320	0.245	2	118.6320	0.060	2	119.1461	4.442	45	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.9730	0.000	1	119.2975	0.126	4	119.1461	4.442	45	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){1|S<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	119.3355	0.456	2	119.2975	0.126	4	119.1461	4.442	45	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	119.5460	0.000	1	119.2975	0.126	4	119.1461	4.442	45	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	122.1180	0.000	1	122.1180	0.000	1	119.1461	4.442	45	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.1665	0.100	2	118.0553	0.042	3	119.1461	4.442	45	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.8330	0.000	1	118.0553	0.042	3	119.1461	4.442	45	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7320	0.000	1	118.9856	5.065	33	119.1461	4.442	45	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.5255	0.025	2	118.9856	5.065	33	119.1461	4.442	45	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.1914	2.252	30	118.9856	5.065	33	119.1461	4.442	45	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6]2)2(H){2|H<1>,2|N<3>,3|C<3>}	122.1560	0.923	2	122.1560	0.853	2	119.1461	4.442	45	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	121.2020	0.000	1	121.2020	0.000	1	119.9936	1.070	8	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	120.0350	0.000	1	120.0350	0.000	1	119.9936	1.070	8	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	120.2220	0.321	4	119.7082	1.397	5	119.9936	1.070	8	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	117.6530	0.000	1	119.7082	1.397	5	119.9936	1.070	8	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)2(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6]2)2(O){2|H<1>,2|N<3>,3|C<3>}	120.1710	0.000	1	120.1710	0.000	1	119.9936	1.070	8	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6,6a]N[6])(C[6]C[6a]C[6])(O)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6,6a]N[6])(C[6]C[6a]C[6])(O){1|H<1>,2|C<4>,4|C<3>}	118.9670	0.310	4	118.9670	0.096	4	118.9670	0.096	4	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:N[6]-3:	N[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(H)	C[6](C[6]N[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	119.0610	0.000	1	119.0610	0.000	1	119.0610	0.000	1	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[5]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	118.0620	0.000	1	118.0620	0.000	1	120.2973	12.532	4	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[5]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]N[5])2(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]N[5])2(H){1|C<3>,2|H<1>,4|C<4>}	118.7730	0.191	2	118.7730	0.036	2	120.2973	12.532	4	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[5]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	N[6](C[6]N[5a]C[6])(C[6]C[6]N[5])(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]N[5a]C[6])(C[6]C[6]N[5])(H){2|H<1>,5|C<3>}	125.5810	0.000	1	125.5810	0.000	1	120.2973	12.532	4	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[5]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]O)	C[6](C[6]N[5]N[6])(C[6]C[6]N)(H)	N[6](C[6]C[6]N[5])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[5]N[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]N[5])(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	117.2920	0.000	1	117.2920	0.000	1	117.2920	0.000	1	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(N[6]C[6]H)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]C)(H)	N[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(N[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.8850	0.000	1	118.8850	0.000	1	118.8850	0.000	1	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	116.7735	0.407	2	116.7735	0.165	2	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.6623	0.523	9	117.6623	0.274	9	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.4476	0.674	14	117.4476	0.454	14	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	118.4705	0.252	2	118.4705	0.064	2	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.9068	0.229	4	118.9068	0.052	4	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.3060	0.000	1	117.3060	0.000	1	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5a]2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.2130	0.000	1	118.2130	0.000	1	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.9670	0.090	3	117.9670	0.008	3	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.3000	0.000	1	119.3000	0.000	1	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CClO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.1070	0.000	1	120.1070	0.000	1	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]N[6]C)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	117.9880	0.000	1	117.9880	0.000	1	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.2961	0.488	14	118.2961	0.238	14	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHP)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHP){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	122.1913	0.178	3	122.1913	0.032	3	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.7150	0.000	1	118.7150	0.000	1	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.8536	0.208	5	118.8536	0.043	5	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.5700	0.609	3	119.5700	0.371	3	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	121.8065	2.655	2	121.8065	7.050	2	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	122.5200	0.000	1	122.5200	0.000	1	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.4190	0.000	1	120.4190	0.000	1	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	119.5030	0.000	1	119.0880	0.542	24	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.0700	0.747	23	119.0880	0.542	24	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	119.7830	0.000	1	119.7830	0.000	1	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	120.4620	0.000	1	119.9982	4.397	10	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	119.9467	2.217	9	119.9982	4.397	10	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	119.0590	0.000	1	119.0590	0.000	1	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	120.2871	0.665	10	120.2871	0.442	10	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|N<2>,2|O<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	119.8790	0.000	1	119.8790	0.000	1	118.9380	2.100	116	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	116.8495	0.080	2	116.8495	0.006	2	119.0951	2.324	9	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	120.6475	0.384	2	120.6475	0.147	2	119.0951	2.324	9	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[5]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[5]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	120.9350	0.000	1	120.9350	0.000	1	119.0951	2.324	9	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	119.2340	0.000	1	119.2340	0.000	1	119.0951	2.324	9	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	118.8160	0.000	1	118.8160	0.000	1	119.0951	2.324	9	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	118.9385	0.019	2	118.9385	0.000	2	119.0951	2.324	9	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCH)	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,3|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	117.6160	0.399	2	117.6160	0.159	2	117.3100	0.360	3	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H)	C[6](C[6]N[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	116.6980	0.000	1	116.6980	0.000	1	117.3100	0.360	3	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	N[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6]C)(O)	N[6](C[6]C[5,5,6]O)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5,5,6]O)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	116.9430	0.000	1	116.9430	0.000	1	116.9430	0.000	1	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H)	C[6](N[6]C[5,6]H)(C[6]N[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H){1|C<4>,1|H<1>,1|O<1>}	C[6](N[6]C[5,6]H)(C[6]N[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	114.9060	0.291	2	114.9060	0.085	2	114.9060	0.085	2	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|C<4>,1|H<1>,5|C<3>}	115.8230	0.190	2	115.8230	0.036	2	115.8230	0.036	2	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	118.6620	0.000	1	118.6620	0.000	1	118.6620	0.000	1	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(Br)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	116.0815	0.456	2	116.0815	0.208	2	116.7157	0.564	21	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	116.4787	0.471	3	116.5070	0.151	4	116.7157	0.564	21	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	116.5920	0.000	1	116.5070	0.151	4	116.7157	0.564	21	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]N)2(H){2|Br<1>,1|C<3>}	116.8801	0.842	14	116.8801	0.709	14	116.7157	0.564	21	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(Br)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	116.5160	0.000	1	116.5160	0.000	1	116.7157	0.564	21	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Cl<1>,1|C<3>}	116.2600	0.132	2	116.2600	0.017	2	116.1933	0.033	4	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl)	N[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|N<2>,2|C<4>}	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cl<1>,1|C<3>}	116.1265	0.255	2	116.1265	0.065	2	116.1933	0.033	4	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(F)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(F){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|F<1>,1|H<1>}	115.9840	0.662	15	115.9279	0.459	16	115.9279	0.459	16	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(F)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(F){1|Zn<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|F<1>}	115.0860	0.000	1	115.9279	0.459	16	115.9279	0.459	16	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	116.4854	0.266	5	116.4854	0.071	5	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	116.5445	0.170	2	116.5445	0.029	2	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.8080	0.000	1	118.8080	0.000	1	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	117.3950	0.000	1	118.2485	0.965	67	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	117.5195	4.048	2	118.2485	0.965	67	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.2846	0.849	64	118.2485	0.965	67	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	120.2253	0.396	3	120.2253	0.157	3	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	117.6513	0.696	3	117.6513	0.485	3	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.7140	0.000	1	118.7140	0.000	1	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	117.8870	0.000	1	117.8870	0.000	1	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	117.9830	0.000	1	117.9830	0.000	1	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	117.8210	0.000	1	117.8210	0.000	1	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	119.4660	0.000	1	119.4660	0.000	1	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	119.3433	1.514	25	119.3433	2.292	25	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	120.5770	0.000	1	120.5770	0.000	1	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){2|H<1>,3|C<3>}	117.1800	0.000	1	117.1800	0.000	1	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.2940	0.438	2	118.2940	0.192	2	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.0886	0.266	46	118.0886	0.071	46	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]Br)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.1505	1.270	6	118.1505	1.614	6	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	117.7540	1.053	39	117.7540	1.108	39	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.0080	0.000	1	118.0080	0.000	1	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	117.7975	0.578	15	117.6517	0.315	189	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|H<1>}	117.7980	0.397	2	117.6517	0.315	189	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	117.3774	0.494	38	117.6517	0.315	189	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	117.6278	0.314	6	117.6517	0.315	189	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	117.7371	0.583	101	117.6517	0.315	189	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	117.7154	0.543	21	117.6517	0.315	189	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	117.3387	0.274	6	117.6517	0.315	189	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	118.1440	0.421	11	118.3229	0.259	112	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|N<2>}	118.3634	0.553	5	118.3229	0.259	112	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	118.3413	0.516	96	118.3229	0.259	112	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]Pd)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Pd)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	116.4400	0.000	1	116.4400	0.000	1	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|S<1>}	C[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<2>,1|C<3>,1|H<1>}	119.2305	0.473	2	119.2305	0.224	2	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Cl<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	117.6167	0.430	4	117.6167	0.185	4	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	117.3615	0.578	42	117.7077	0.418	90	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	118.0106	0.546	48	117.7077	0.418	90	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<2>,1|S<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	117.8710	0.000	1	117.8710	0.000	1	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	C[6](C[6]N[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	119.0258	0.293	4	119.0258	0.086	4	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H)	N[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	118.3270	0.000	1	118.3270	0.000	1	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	118.2460	0.275	4	119.1837	0.878	25	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	118.9370	0.000	1	119.1837	0.878	25	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<3>,2|N<2>}	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	118.0920	0.000	2	119.1837	0.878	25	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){3|N<3>}	C[6](C[6]N[6]N)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	119.5271	0.867	18	119.1837	0.878	25	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H)	N[6](C[6]C[6]N)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,1|N<3>,1|S<1>}	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	118.1483	0.271	4	118.1483	0.073	4	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	119.0960	0.549	2	119.0960	0.301	2	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.0985	0.076	2	118.0985	0.006	2	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.6155	0.257	4	118.6155	0.066	4	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.8655	0.040	2	118.8655	0.002	2	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NRuH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NRuH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	115.2370	0.000	1	115.2370	0.000	1	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NZnN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NZnN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	116.0295	0.746	2	116.0295	0.557	2	118.0361	0.804	653	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	120.0700	0.000	1	120.0700	0.000	1	119.2240	0.255	14	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	119.2150	0.432	12	119.2150	0.187	12	119.2240	0.255	14	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	118.4860	0.000	1	118.4860	0.000	1	119.2240	0.255	14	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]N[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	125.6060	0.000	1	125.6060	0.000	1	125.6060	0.000	1	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]Fe)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	116.1200	0.000	1	116.1200	0.000	1	116.1200	0.000	1	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	117.7050	0.000	1	117.7050	0.000	1	117.7050	0.000	1	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu2)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	116.2818	0.440	4	116.2818	0.193	4	116.2818	0.193	4	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[3x6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.4773	0.317	7	118.4773	0.101	7	118.4773	0.101	7	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	118.0040	0.000	1	118.0040	0.000	1	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	117.8260	0.000	1	117.8260	0.000	1	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	117.8787	1.073	4	117.8787	1.151	4	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	117.9540	0.000	1	117.7720	0.845	5	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	116.7800	0.000	1	117.7720	0.845	5	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	118.0420	1.036	3	117.7720	0.845	5	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){2|H<1>,3|C<3>}	118.7440	0.000	1	118.7440	0.000	1	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	117.0025	0.858	2	117.0620	0.536	4	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|Pt<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	116.4660	0.000	1	117.0620	0.536	4	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	117.7770	0.000	1	117.0620	0.536	4	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])2(H)	N[6](C[6]C[6a]C[6])(C[6]N[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])2(H){1|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[6]N)(H){1|H<1>,3|C<3>}	117.8490	0.000	1	117.8490	0.000	1	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	119.3055	1.365	2	119.3055	1.864	2	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.2670	0.000	1	118.3178	0.607	13	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.4053	0.744	12	118.3178	0.607	13	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H){1|N<2>,2|C<3>,2|H<1>}	115.4510	0.000	1	115.4510	0.000	1	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	118.7580	0.000	1	118.5601	0.165	9	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	118.5940	0.426	7	118.5601	0.165	9	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	118.1250	0.000	1	118.5601	0.165	9	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	122.4620	0.000	1	118.2065	0.915	99	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.8746	0.542	17	118.2065	0.915	99	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	117.5680	0.000	1	118.2065	0.915	99	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.7190	0.000	1	118.2065	0.915	99	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.5485	0.790	2	118.2065	0.915	99	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	118.3950	0.000	1	118.2065	0.915	99	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	116.1410	0.000	1	118.2065	0.915	99	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.0693	0.795	75	118.2065	0.915	99	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]Ir)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|Ir<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]Ir)(H){1|N<2>,2|C<3>,2|H<1>}	118.3625	0.652	4	118.3625	0.425	4	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	118.6020	0.357	3	118.6020	0.066	5	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	118.6020	0.096	2	118.6020	0.066	5	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.9110	0.000	1	118.9110	0.000	1	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H)	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|S<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])2(H){2|H<1>,2|N<2>,3|C<3>}	119.2280	0.000	1	119.2280	0.000	1	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	119.3730	0.133	2	119.6165	0.294	17	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	118.8990	0.000	1	119.6165	0.294	17	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	119.7025	0.551	14	119.6165	0.294	17	118.3480	0.989	169	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5,6]C[6])(C[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[5,6]C[6])(C[6]C[6a]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	118.4400	0.000	1	118.4400	0.000	1	118.1799	0.972	8	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	118.5520	0.000	1	118.4895	0.008	2	118.1799	0.972	8	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	118.4270	0.000	1	118.4895	0.008	2	118.1799	0.972	8	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[5]C[6])(O)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[5]C[6])(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	117.5780	0.000	1	117.5780	0.000	1	118.1799	0.972	8	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	118.1105	1.432	4	118.1105	2.052	4	118.1799	0.972	8	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|N<2>,2|H<1>,4|C<3>}	119.2023	1.694	3	119.2023	2.870	3	119.2023	2.870	3	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]O)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<3>,5|C<3>}	119.4990	0.000	1	119.4990	0.000	1	118.7135	1.234	2	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]O)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|N<2>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<2>,5|C<3>}	117.9280	0.000	1	117.9280	0.000	1	118.7135	1.234	2	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5]C[5,6a]In[5,5])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]In[5,5])(C[6]C[6]H)(N[6]C[6]H){3|Cl<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|In<6>,2|C<3>,2|H<1>}	N[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|In<6>,2|C<3>,2|H<1>}	115.9040	0.000	1	115.9040	0.000	1	115.9040	0.000	1	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]N[5a]C[6])(C[6]C[6]N[5])(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]N[5a]C[6])(C[6]C[6]N[5])(H){2|H<1>,5|C<3>}	123.8860	0.000	1	123.8860	0.000	1	123.8860	0.000	1	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|Cl<1>,2|C<3>}	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	117.7490	0.000	1	117.7490	0.000	1	118.9363	3.104	38	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	115.8730	0.000	1	115.8730	0.000	1	118.9363	3.104	38	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	115.0100	0.000	1	115.0100	0.000	1	118.9363	3.104	38	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	118.1850	0.000	1	117.2114	0.245	10	118.9363	3.104	38	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	117.1032	0.380	9	117.2114	0.245	10	118.9363	3.104	38	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]2)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]2){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	116.3630	0.000	1	116.3630	0.000	1	118.9363	3.104	38	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.0450	0.000	1	119.2680	0.099	2	118.9363	3.104	38	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.4910	0.000	1	119.2680	0.099	2	118.9363	3.104	38	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CNS)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.8290	0.000	1	119.8290	0.000	1	118.9363	3.104	38	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	119.3770	0.000	1	119.9603	0.762	16	118.9363	3.104	38	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.9992	0.889	15	119.9603	0.762	16	118.9363	3.104	38	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	120.5950	0.233	2	120.5950	0.054	2	118.9363	3.104	38	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	121.2510	0.000	1	121.1840	0.009	3	118.9363	3.104	38	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	121.1505	0.104	2	121.1840	0.009	3	118.9363	3.104	38	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	120.0760	0.000	1	120.0760	0.000	1	120.0760	0.000	1	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Se-1:	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(Se)	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Se<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)2(Se){1|C<3>,2|H<1>}	118.8560	1.196	2	118.8560	1.431	2	118.8560	1.431	2	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.6020	0.487	4	117.6020	0.238	4	117.5574	0.188	5	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.3790	0.000	1	117.3790	0.000	1	117.5574	0.188	5	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){2|H<1>,3|C<3>}	117.3500	0.147	2	117.3500	0.022	2	117.3500	0.022	2	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,5|C<3>}	117.1766	0.852	5	117.1766	0.726	5	117.1766	0.726	5	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){2|H<1>,5|C<3>}	118.9345	0.087	2	118.9345	0.008	2	118.9345	0.008	2	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.6810	0.000	1	120.6957	0.066	3	120.6957	0.066	3	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	120.7030	0.362	2	120.6957	0.066	3	120.6957	0.066	3	118.2455	1.632	1199	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(OMn)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O){1|Mn<6>,1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(OMn){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	116.4740	0.000	1	116.4740	0.000	1	116.4740	0.000	1	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OBi)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OBi){1|N<3>,2|C<3>,2|H<1>}	119.3455	0.243	2	119.3455	0.059	2	118.1248	1.243	20	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OCo)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OCo){1|N<3>,2|C<3>,2|H<1>}	118.8143	0.167	3	118.8143	0.028	3	118.1248	1.243	20	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OFe)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|Fe<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OFe){1|N<3>,2|C<3>,2|H<1>}	116.7823	0.240	4	116.7823	0.057	4	118.1248	1.243	20	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OMn)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OMn){1|N<3>,2|C<3>,2|H<1>}	119.3005	0.013	2	119.3005	0.000	2	118.1248	1.243	20	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(ONi)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|Ni<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(ONi){1|N<3>,2|C<3>,2|H<1>}	116.9960	0.264	4	116.9960	0.070	4	118.1248	1.243	20	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OSn)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OSn){1|N<3>,2|C<3>,2|H<1>}	118.7296	0.672	5	118.7296	0.452	5	118.1248	1.243	20	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(ONi)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(ONi){1|C<3>,2|H<1>}	119.0130	0.238	2	119.0130	0.056	2	118.6888	0.347	6	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(OSn)	C[6](C[6]C[6]H)(N[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]O)(OSn){1|C<3>,2|H<1>}	118.9480	0.146	2	118.9480	0.021	2	118.6888	0.347	6	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OFe)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OFe){1|C<3>,2|H<1>}	117.5430	0.000	1	117.5430	0.000	1	118.6888	0.347	6	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<3>,2|H<1>}	118.6680	0.000	1	118.6680	0.000	1	118.6888	0.347	6	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	N[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]N[5,6]O)(N[6]C[6]O)(CC[6a]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6])	C[6](C[6]N[5,6]O)(N[6]C[6]O)(CC[6a]H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6]Ni)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(ONi)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6]Ni){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(ONi){1|C<3>,2|H<1>}	115.6865	0.647	4	115.6865	0.418	4	116.7612	2.100	9	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(NHH)	C[6](C[6]N[6]2)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(OH)	C[6](C[6]C[6]H)(N[6]C[6]O)(NHH){1|N<2>,2|N<3>}	C[6](C[6]N[6]2)(C[6]N[6]N)(H){1|C<3>,1|O<2>,2|C<4>}	N[6](C[6]C[6]N)(C[6]N[6]N)(OH){1|C<3>,1|H<1>}	119.8520	0.000	1	119.8520	0.000	1	116.7612	2.100	9	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(NPdC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(OPd)	C[6](C[6]C[6]H)(N[6]C[6]O)(NPdC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(OPd){1|C<3>,2|H<1>}	117.0633	0.579	4	117.0633	0.335	4	116.7612	2.100	9	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(OIr)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(OIr){2|H<1>,3|C<3>}	116.9380	0.000	1	116.9380	0.000	1	116.9380	0.000	1	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:As-2:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]As)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(AsN)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]As)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|As<2>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(AsN){1|N<2>,2|C<3>,2|H<1>}	119.8950	0.000	1	119.8950	0.000	1	119.8950	0.000	1	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ge-2:	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(GeCl)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ge<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)2(GeCl){1|C<3>,2|H<1>}	121.5105	0.180	2	121.5105	0.033	2	121.5105	0.033	2	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:Ge[6]-2:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	117.8920	0.000	1	117.8920	0.000	1	117.8920	0.000	1	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:Si[6]-2:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6])	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	119.1730	0.000	1	119.1730	0.000	1	119.1730	0.000	1	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:Ge[6]-2:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]N)(Ge[6]N[6])	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(NCC){2|C<3>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|Ge<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]N)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	122.5635	0.566	2	122.5635	0.321	2	122.5635	0.321	2	118.1463	3.695	45	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	N[6](C[6]C[5]C[6])(C[6]C[6]N)(NHH)	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|C<2>,1|N<3>,5|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]N)(NHH){1|C<2>,1|H<1>,3|C<3>}	116.6745	0.455	2	116.6745	0.207	2	116.6745	0.207	2	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]Br)(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(Br)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(CCC)	C[6](C[6]C[6,6a]Br)(C[6a]C[6a]2)(N[6]C[6]C){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(Br){1|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(CCC){1|Br<1>,4|C<3>}	117.5560	0.257	2	117.5560	0.066	2	117.5560	0.066	2	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6])(NHH)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|N<3>,5|C<3>}	N[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6])(NHH){1|H<1>,6|C<3>}	117.7920	0.000	1	117.7920	0.000	1	117.7920	0.000	1	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2){1|C<3>,2|H<1>}	114.9990	0.000	1	114.9990	0.000	1	114.9990	0.000	1	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6]2)(CHH){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[6](C[6]N[6]C)2(H){2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O){2|H<1>,3|C<3>}	117.2000	0.000	1	117.2000	0.000	1	117.2000	0.000	1	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN)	C[6](N[6]B[5]C[6])(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN){1|B<3>,1|C<3>,1|H<1>}	C[6](N[6]B[5]C[6])(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2){1|N<3>,2|H<1>}	120.2740	0.000	1	120.2740	0.000	1	120.2740	0.000	1	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(NOsC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BClOs)	C[6](C[6]C[6]H)(N[6]C[6]B)(NOsC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BClOs){1|C<3>,2|H<1>}	117.5590	0.000	1	117.5590	0.000	1	117.7595	0.080	2	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(NOsH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BOsO)	C[6](C[6]C[6]H)(N[6]C[6]B)(NOsH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BOsO){1|C<3>,2|H<1>}	117.9600	0.000	1	117.9600	0.000	1	117.7595	0.080	2	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])2(BBr2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])2(BBr2){2|H<1>,5|C<3>}	118.9667	0.458	3	118.9667	0.210	3	118.9667	0.210	3	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C){2|H<1>,3|C<3>}	118.5490	0.000	1	118.5490	0.000	1	118.5490	0.000	1	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])2(C[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]2){2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])2(C[6]C[6]2){4|H<1>,7|C<3>}	119.5310	0.313	20	119.5310	0.098	20	119.5310	0.098	20	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(GaCl2)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)2(GaCl2){1|C<3>,2|H<1>}	120.6095	0.120	2	120.6095	0.014	2	120.8616	0.534	7	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(GaII)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)2(GaII){1|C<3>,2|H<1>}	121.1435	1.104	2	121.1435	1.218	2	120.8616	0.534	7	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(GaII)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)2(GaII){1|C<3>,2|H<1>}	120.8417	0.917	3	120.8417	0.841	3	120.8616	0.534	7	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]N[6]C)2(H){2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,3|H<1>}	117.7240	0.000	1	117.7240	0.000	1	117.7240	0.000	1	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	118.1520	0.049	2	118.1520	0.002	2	118.1520	0.002	2	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]N){3|C<3>,4|H<1>}	117.4820	0.000	1	117.4820	0.000	1	117.4820	0.000	1	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Si[6]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H)	N[6](C[6a]C[6a]2)(Si[6]N[6]P)(C[6]C[6]N)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|P<3>,2|C<3>,2|N<3>}	C[6](C[6]N[6]N)2(H){1|Si<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Si[6]N[6]P)(C[6]C[6]N){1|H<1>,2|C<4>,4|C<3>}	120.7405	0.293	2	120.7405	0.086	2	120.7405	0.086	2	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PC[6a]2)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PC[6a]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P){2|H<1>,2|O<2>,3|C<3>}	117.3710	0.000	1	117.3710	0.000	1	117.6538	0.059	4	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PCl2)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PCl2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P){3|C<3>,3|H<1>}	117.5480	0.000	1	117.5480	0.000	1	117.6538	0.059	4	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PN[5a]2)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PN[5a]2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P){3|C<3>,3|H<1>}	117.8480	0.109	2	117.8480	0.012	2	117.6538	0.059	4	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B[5a]-3:	C[6](N[6]B[5a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])2(B[5a]O[5a]2)	C[6](N[6]B[5a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])2(B[5a]O[5a]2){2|H<1>,7|C<3>}	118.5850	0.088	2	118.5850	0.008	2	118.5850	0.008	2	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	119.4965	0.124	2	119.3038	0.056	4	120.2578	2.293	6	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	119.1110	0.069	2	119.3038	0.056	4	120.2578	2.293	6	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H)	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H){1|H<1>,2|N<3>,4|C<3>}	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	122.1660	0.610	2	122.1660	0.372	2	120.2578	2.293	6	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6](N[6]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])2(N[5]C[5]2)	C[6](N[6]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|H<1>,1|N<3>,5|C<3>}	N[6](C[6]C[6a]C[6])2(N[5]C[5]2){2|H<1>,2|O<1>,7|C<3>}	118.0450	0.632	2	118.0450	0.400	2	118.0450	0.400	2	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Se<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H){4|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se){1|O<2>,2|H<1>,5|C<3>}	118.5270	0.228	2	118.5707	0.032	3	118.5707	0.032	3	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Se<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H){4|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se){3|H<1>,5|C<3>}	118.6580	0.000	1	118.5707	0.032	3	118.5707	0.032	3	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(C[6]C[6]Ir)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Ir<6>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(C[6]C[6]Ir){2|H<1>,5|C<3>}	118.4940	0.000	1	118.4940	0.000	1	118.4940	0.000	1	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H){1|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|H<1>,5|C<3>}	121.1670	0.000	1	121.1670	0.000	1	121.1670	0.000	1	119.0929	1.905	66	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	115.7840	0.000	1	115.7840	0.000	1	118.4445	3.209	4	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	119.0180	0.000	1	119.3313	0.094	3	118.4445	3.209	4	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C){1|Ir<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	119.4880	0.204	2	119.3313	0.094	3	118.4445	3.209	4	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)(N[6]C[6]B)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)(N[6]C[6]B){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	120.0845	0.497	2	120.0845	0.247	2	120.0845	0.247	2	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CH3)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	118.3450	0.000	1	118.3450	0.000	1	119.2148	0.330	5	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]C){2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.4322	0.353	4	119.4322	0.124	4	119.2148	0.330	5	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	120.3350	0.000	1	120.1060	0.135	6	120.3821	1.586	12	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	120.0602	0.391	5	120.1060	0.135	6	120.3821	1.586	12	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	119.2700	0.199	2	119.1200	0.087	3	120.3821	1.586	12	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	118.8200	0.000	1	119.1200	0.087	3	120.3821	1.586	12	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|Re<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	122.1963	0.862	3	122.1963	0.742	3	120.3821	1.586	12	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	118.9260	0.000	1	118.9260	0.000	1	118.9260	0.000	1	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	116.4740	0.000	1	116.4740	0.000	1	118.3680	1.380	45	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	119.6551	0.449	8	119.6551	0.201	8	118.3680	1.380	45	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	119.8279	0.426	8	119.8279	0.182	8	118.3680	1.380	45	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	117.1405	0.276	2	117.1405	0.076	2	118.3680	1.380	45	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	117.4419	0.425	20	117.4419	0.181	20	118.3680	1.380	45	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	118.6275	0.197	2	118.6275	0.039	2	118.3680	1.380	45	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	118.2110	0.051	2	118.2110	0.003	2	118.3680	1.380	45	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	118.7135	0.030	2	118.7135	0.001	2	118.3680	1.380	45	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH){1|O<1>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	114.3570	0.000	1	114.3570	0.000	1	115.9245	4.914	2	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]H)	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]H){1|O<1>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.4920	0.000	1	117.4920	0.000	1	115.9245	4.914	2	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BC[6a]3){1|C<3>,2|H<1>}	120.0020	0.470	2	120.0020	0.220	2	119.6153	0.559	3	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]O)(BCHH)	C[6](C[6]C[6]H)(N[6]C[6]B)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|B<4>,1|C<3>,1|C<4>}	N[6](C[6]C[6]N)(C[6]N[6]O)(BCHH){1|C<3>,1|C<4>,1|H<1>}	118.8420	0.000	1	118.8420	0.000	1	119.6153	0.559	3	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	119.5480	0.000	1	119.5480	0.000	1	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	119.2885	0.666	6	119.2885	0.443	6	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]N)2(CH3){1|C<3>,2|H<1>}	120.2110	0.143	2	120.2110	0.020	2	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	117.7940	0.000	1	117.7940	0.000	1	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	118.0290	0.000	1	118.0290	0.000	1	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	118.4145	0.752	4	118.2687	0.398	6	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|I<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>,1|I<1>}	118.1100	0.000	1	118.2687	0.398	6	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	117.8440	0.000	1	118.2687	0.398	6	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH){1|C<3>,2|H<1>}	118.2060	0.000	1	118.2060	0.000	1	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	118.2852	0.480	6	118.2852	0.231	6	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	118.4670	0.000	1	118.4670	0.000	1	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3){1|C<3>,2|H<1>}	119.2260	0.000	1	119.2260	0.000	1	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]N)2(CH3){1|C<3>,2|H<1>}	119.5960	0.588	2	119.4904	0.121	7	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]N)2(CH3){1|C<3>,2|H<1>}	119.4482	0.296	5	119.4904	0.121	7	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NNiC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(NNiC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	118.0540	0.089	2	118.0540	0.008	2	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NPdC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(NPdC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	118.1260	0.000	1	118.1260	0.000	1	118.8170	0.643	36	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]C)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	119.3260	1.253	2	119.3260	1.570	2	119.3260	1.570	2	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C){2|H<1>,3|C<3>}	119.8630	0.000	1	119.8630	0.000	1	119.9643	0.054	3	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F){2|H<1>,3|C<3>}	120.2300	0.000	1	120.2300	0.000	1	119.9643	0.054	3	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]B)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]B){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]3){1|N<2>,2|C<3>,2|H<1>}	119.8000	0.000	1	119.8000	0.000	1	119.9643	0.054	3	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])2(CC[6a]FF)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])2(CC[6a]FF){2|H<1>,5|C<3>}	119.0600	0.263	2	119.0600	0.069	2	119.1306	0.487	18	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	120.6370	0.000	1	120.6370	0.000	1	119.1306	0.487	18	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	118.5744	0.249	5	118.5744	0.062	5	119.1306	0.487	18	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	119.2725	0.429	2	119.2817	0.083	4	119.1306	0.487	18	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	119.2910	0.252	2	119.2817	0.083	4	119.1306	0.487	18	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	118.8140	0.000	1	118.8140	0.000	1	119.1306	0.487	18	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	118.2480	0.000	1	118.2480	0.000	1	119.1306	0.487	18	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	119.8455	1.191	2	119.6330	0.637	4	119.1306	0.487	18	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	119.4205	0.556	2	119.6330	0.637	4	119.1306	0.487	18	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C[6])(C[6]C[6a]N[6])(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6])(C[6]C[6a]N[6])(H){1|C<4>,6|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(CH3){1|H<1>,5|C<3>}	119.1230	0.000	1	119.1230	0.000	1	119.1230	0.000	1	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6](C[6a]C[6a]2)(N[6]C[6]Ga)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])2(GaCl3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ga)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])2(GaCl3){2|H<1>,5|C<3>}	120.8770	0.301	2	120.8770	0.091	2	120.8770	0.091	2	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	119.7920	0.000	1	119.7920	0.000	1	118.2194	2.209	35	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	120.2680	0.000	1	120.2680	0.000	1	118.2194	2.209	35	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	118.5580	0.597	2	118.5580	0.356	2	118.2194	2.209	35	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	118.5697	0.612	21	118.5697	0.375	21	118.2194	2.209	35	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	119.4020	0.113	2	119.4020	0.013	2	118.2194	2.209	35	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[4a]H)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[4a]H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	117.4680	0.000	1	117.4680	0.000	1	118.2194	2.209	35	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Br)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Br){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	119.1700	0.000	1	119.1700	0.000	1	118.2194	2.209	35	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]C)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]C){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	115.6155	0.344	2	115.6155	0.119	2	118.2194	2.209	35	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Cl)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	116.8340	0.000	1	116.8340	0.000	1	118.2194	2.209	35	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	115.4750	0.000	1	115.4750	0.000	1	118.2194	2.209	35	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	112.7410	0.000	1	112.7410	0.000	1	118.2194	2.209	35	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]S)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]S){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	118.8160	0.000	1	118.8160	0.000	1	118.2194	2.209	35	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	Ge[6,6]-3:C[6]-3:Si-4:	C[6](N[6]Ge[6,6]Si)(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]N[6,6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](Ge[6,6]N[6,6,6a]N[6])(C[6]C[6a]C[6])(SiC3)	C[6](N[6]Ge[6,6]Si)(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]N[6,6,6a]C[6a])(C[6]C[6a]N[6])(H){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	N[6](Ge[6,6]N[6,6,6a]N[6])(C[6]C[6a]C[6])(SiC3){1|Si<4>,1|H<1>,5|C<3>}	124.8060	3.117	2	124.8060	9.715	2	124.8060	9.715	2	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H){1|B<4>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	120.7400	0.000	1	120.7400	0.000	1	119.8741	0.410	13	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])2(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6])2(H){1|B<4>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	119.8019	0.611	12	119.8019	0.373	12	119.8741	0.410	13	118.9120	2.115	186	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:5:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-5:	C[6](C[6]C[6]H)(N[6]C[6]B)(NIrC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BIrH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(NIrC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BIrH3){1|C<3>,2|H<1>}	117.5940	0.000	1	117.5940	0.000	1	117.3102	0.115	4	117.8972	1.808	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:5:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-5:	C[6](C[6]C[6]H)(N[6]C[6]B)(NMnC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BMnH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(NMnC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BMnH3){1|C<3>,2|H<1>}	117.5910	0.000	1	117.5910	0.000	1	117.3102	0.115	4	117.8972	1.808	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:5:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-5:	C[6](C[6]C[6]H)(N[6]C[6]B)(NRhC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BRhH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(NRhC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BRhH3){1|C<3>,2|H<1>}	116.9160	0.000	1	116.9160	0.000	1	117.3102	0.115	4	117.8972	1.808	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:5:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-5:	C[6](C[6]C[6]H)(N[6]C[6]B)(NRuC)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BRuH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(NRuC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BRuH3){1|C<3>,2|H<1>}	117.1400	0.000	1	117.1400	0.000	1	117.3102	0.115	4	117.8972	1.808	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:5:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-5:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]In)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(InCl3O)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]In)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(InCl3O){1|N<2>,2|C<3>,2|H<1>}	120.2450	0.000	1	120.2450	0.000	1	120.2450	0.000	1	117.8972	1.808	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:B[6]-4:H-1:	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(B[6]N[6,6]CC)(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H){1|B<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(B[6]N[6,6]CC)(H){1|H<1>,4|C<3>}	120.0900	0.000	1	120.0900	0.000	1	120.0900	0.000	1	120.0900	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[6]-3:C-3:	N[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-4:C[6]-3:	C[6](C[6]N[5,6]O)(N[6]C[6]2)(CHH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]2)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]C)(O){1|C<4>,5|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	115.9360	0.000	1	115.9360	0.000	1	115.9360	0.000	1	119.5295	1.897	11	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(Br)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(Br){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO){1|Br<1>,2|H<1>,3|C<3>}	118.6770	0.000	1	118.6770	0.000	1	118.6770	0.000	1	119.5295	1.897	11	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]I)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(I)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]I)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(I){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO){1|I<1>,2|H<1>,3|C<3>}	119.4725	0.392	2	119.4725	0.154	2	119.4725	0.154	2	119.5295	1.897	11	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:B[6]-4:C[6a]-3:	C[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2){1|N<3>,1|S<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(H){1|B<4>,5|C<3>}	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	119.9590	0.430	2	120.2015	0.437	6	120.2015	0.437	6	119.5295	1.897	11	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:B[6]-4:C[6a]-3:	C[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6](N[6]C[6a]B[6])(C[6]C[5,6]H)(C[6a]C[6a]2){1|N<3>,1|S<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(H){1|B<4>,5|C<3>}	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.3227	0.780	4	120.2015	0.437	6	120.2015	0.437	6	119.5295	1.897	11	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:B[6]-4:C[6a]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	C[6](N[6]C[6a]B[6])(C[6]C[6,6]H)(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H){1|B<4>,1|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.0570	0.000	1	120.0570	0.000	1	120.0570	0.000	1	119.5295	1.897	11	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H)	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H){1|B<4>,2|H<1>,4|C<3>}	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(H){1|H<1>,8|C<3>}	118.6890	0.379	2	118.6890	0.144	2	118.6890	0.144	2	120.7677	13.034	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6]-3:H-1:	C[6](N[6]Ge[6]H)(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H)	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(H)	C[6](N[6]Ge[6]H)(C[6]C[6]H)(NCC){2|Cl<1>,2|N<3>}	C[6](C[6]N[6]N)2(H){2|Ge<4>,1|H<1>}	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(H){1|Ge<4>,1|C<3>,1|H<1>}	124.9250	0.000	1	124.9250	0.000	1	124.9250	0.000	1	120.7677	13.034	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:N[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]N[6])(H)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(CCO)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]C){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6a]N[6])(H){2|C<4>,5|C<3>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(CCO){1|C<4>,1|H<1>,5|C<3>}	117.9310	0.000	1	117.9310	0.000	1	117.9310	0.000	1	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(CCO)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(CCO){1|H<1>,6|C<3>}	118.1260	0.000	1	118.1260	0.000	1	117.2323	0.599	3	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO){1|H<1>,4|C<3>}	116.7990	0.000	1	116.7990	0.000	1	117.2323	0.599	3	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(COO)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]C){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(COO){1|H<1>,4|C<3>}	116.7720	0.000	1	116.7720	0.000	1	117.2323	0.599	3	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS){1|H<1>,4|C<3>}	118.9980	0.000	1	118.9980	0.000	1	118.9980	0.000	1	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	117.4320	0.000	1	117.4320	0.000	1	117.4320	0.000	1	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(COO)	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]N[6]H)(N[6]C[6]C)(COO){2|C<4>,2|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|N<3>,1|O<2>,2|H<1>}	118.0170	0.000	1	118.0170	0.000	1	118.0170	0.000	1	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:C-3:	N[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]2)(CC[6a]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(O)	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6]2)(CC[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	117.0770	0.000	1	117.0770	0.000	1	117.0770	0.000	1	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(CCO){2|H<1>,5|C<3>}	117.1100	0.000	1	117.1100	0.000	1	117.1100	0.000	1	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CCH){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	119.5870	0.000	1	119.5870	0.000	1	119.5870	0.000	1	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	118.3910	0.081	2	118.3910	0.006	2	118.2197	0.091	3	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	117.8770	0.000	1	117.8770	0.000	1	118.2197	0.091	3	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	117.0270	0.000	1	117.0270	0.000	1	116.8876	0.101	5	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,2|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	116.9600	0.000	1	116.9600	0.000	1	116.8876	0.101	5	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,5|H<1>,6|C<3>}	116.5740	0.000	1	116.5740	0.000	1	116.8876	0.101	5	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,7|C<3>}	117.3110	0.000	1	117.3110	0.000	1	116.8876	0.101	5	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	116.5660	0.000	1	116.5660	0.000	1	116.8876	0.101	5	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CHH){1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|H<1>,4|C<4>,5|C<3>}	117.9860	0.000	1	117.9860	0.000	1	117.9860	0.000	1	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]C[6a]N[6]F)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|F<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]C[6a]N[6]F)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	116.5100	0.000	1	116.5100	0.000	1	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	117.6170	0.000	1	117.6170	0.000	1	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]C[6a]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,2|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]C[6a]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	117.2580	0.669	2	117.2580	0.447	2	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.2740	0.000	1	118.6250	0.842	2	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	117.9760	0.000	1	118.6250	0.842	2	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|P<3>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	118.3470	0.000	1	118.3470	0.000	1	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){2|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	117.4475	0.187	2	117.4475	0.035	2	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.0460	0.000	1	118.0460	0.000	1	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]BrN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Br<1>,1|C<4>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]BrN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	117.0945	0.405	2	117.0945	0.164	2	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]CH)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]CH)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.5630	0.048	2	118.5630	0.002	2	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	117.1030	0.000	1	117.1030	0.000	1	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	117.5360	0.000	1	117.5360	0.000	1	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]ClP)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]ClP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	116.8660	0.000	1	116.8660	0.000	1	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	117.4570	0.000	1	117.4570	0.000	1	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.6395	0.623	2	118.6395	0.388	2	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	117.1830	0.736	3	117.1830	0.542	3	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,2|C<3>,3|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	116.5420	0.000	1	116.5420	0.000	1	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]PP)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]PP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	117.5470	0.000	1	117.5470	0.000	1	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]SiO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Si<4>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]SiO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	117.7730	0.000	1	117.7730	0.000	1	117.6211	0.572	26	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	119.2510	0.000	1	119.2510	0.000	1	119.5275	0.153	2	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H){1|C<4>,5|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	119.8040	0.000	1	119.8040	0.000	1	119.5275	0.153	2	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H)	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]N)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|H<1>,2|C<3>,3|N<3>}	C[6](C[6]N[6]N)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]N){1|H<1>,2|C<4>,4|C<3>}	121.9680	1.000	2	121.9680	1.000	2	121.9680	1.000	2	117.8790	1.458	49	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	P[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]P[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](P[6]C[6,6a]OO)(C[6]C[6a]C[6])(CC[6a]HH)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]P[6]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	N[6](P[6]C[6,6a]OO)(C[6]C[6a]C[6])(CC[6a]HH){1|H<1>,4|C<3>}	121.6260	0.000	1	121.6260	0.000	1	121.6260	0.000	1	120.9470	3.562	28	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[5a,6]-3:C[6]-3:O-1:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O)	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O){1|C<4>,1|S<4>,2|C<3>}	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	121.1011	0.336	7	121.1011	0.113	7	121.1011	0.113	7	120.9470	3.562	28	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(SC[6a]OO){1|O<1>,2|C<3>}	115.9980	0.000	1	115.9980	0.000	1	115.9980	0.000	1	120.9470	3.562	28	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<3>,1|N<2>,1|S<4>,2|C<4>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|O<1>}	120.0880	0.000	1	120.0880	0.000	1	120.7732	0.214	17	120.9470	3.562	28	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<3>,1|N<2>,1|S<4>,2|C<4>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|O<1>}	120.0270	0.000	1	120.0270	0.000	1	120.7732	0.214	17	120.9470	3.562	28	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	120.8686	0.402	15	120.8686	0.161	15	120.7732	0.214	17	120.9470	3.562	28	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(NC[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]N)(SC[6a]OO)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(NC[6a]C){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]N)(SC[6a]OO){1|H<1>,4|C<3>}	119.1440	0.000	1	119.1440	0.000	1	119.1440	0.000	1	120.9470	3.562	28	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6]-3:Ge-4:	C[6](N[6]Ge[6]Ge)(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H)	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(GeCl3)	C[6](N[6]Ge[6]Ge)(C[6]C[6]H)(NCC){2|Cl<1>,2|N<3>}	C[6](C[6]N[6]N)2(H){2|Ge<4>,1|H<1>}	N[6](Ge[6]N[6]Cl2)(C[6]C[6]N)(GeCl3){1|C<3>,2|H<1>}	128.8970	0.000	1	128.8970	0.000	1	128.8970	0.000	1	120.9470	3.562	28	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[3,6]-5:C[6a]-3:C[6]-3:	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|O<2>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<5>,2|C<3>}	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	117.2270	0.000	1	117.2270	0.000	1	117.2270	0.000	1	117.6000	0.278	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	Si[6]-5:C[6]-3:C[6]-3:	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]BrLiN)(C[6]C[6]2)(C[6]C[6]C)	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(CHH){1|Br<2>,1|Li<5>,1|C<3>,1|N<3>,1|N<4>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Si<5>,2|C<3>}	N[6](Si[6]N[6]BrLiN)(C[6]C[6]2)(C[6]C[6]C){1|Li<5>,1|H<1>,2|C<4>,4|C<3>}	117.9730	0.000	1	117.9730	0.000	1	117.9730	0.000	1	117.6000	0.278	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]H)	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]){1|S<2>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	117.1565	0.599	2	117.1565	0.359	2	117.1565	0.359	2	118.2287	0.453	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	118.6953	0.254	3	118.6953	0.065	3	118.6953	0.065	3	118.2287	0.453	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]S)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(SC)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(SC){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	118.5630	0.000	1	118.5630	0.000	1	118.5630	0.000	1	118.2287	0.453	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,5|C<3>}	117.3540	0.000	1	117.3540	0.000	1	117.3540	0.000	1	118.2287	0.453	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(NN)	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NN){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|N<2>}	118.6894	0.462	5	118.6894	0.214	5	118.6894	0.214	5	118.2287	0.453	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(OH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(OH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	117.8518	0.260	4	117.8518	0.067	4	118.0250	0.201	5	118.2287	0.453	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(NSnH)	C[6](C[6]C[6]H)(C[6]N[6]N)(OSn)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(NSnH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(OSn){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	118.7180	0.000	1	118.7180	0.000	1	118.0250	0.201	5	118.2287	0.453	17	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(N[6]C[6]N)(NHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	N[6](C[6]C[5]C[6])(C[6]C[6]N)(NHH)	C[6](C[6]C[6]C)(N[6]C[6]N)(NHH){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]N)(NHH){1|C<2>,1|H<1>,3|C<3>}	119.3445	0.593	2	119.3445	0.352	2	119.3445	0.352	2	118.3872	1.357	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]N)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CN){3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]N)2{1|C<2>,2|H<1>,4|C<3>}	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	118.3872	1.357	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[4]-3:C[6]-3:C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(OC)	N[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]N)	C[6](N[6]C[4]C[6])(C[6]C[6]O)(NCH){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(OC){1|H<1>,2|C<3>}	N[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]N){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	117.2660	0.000	1	117.2660	0.000	1	117.2660	0.000	1	118.3872	1.357	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6]-3:C[6a]-3:N[6]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(CH3)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]C){1|S<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(CH3){1|H<1>,1|N<2>,3|C<3>}	118.9300	0.528	2	118.9300	0.278	2	118.9300	0.278	2	119.5828	0.563	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CNO)	C[6](C[6]C[6]O)(C[6]N[6]C)(OFe)	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(CNO){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	119.9387	0.789	3	119.9387	0.623	3	119.9387	0.623	3	119.5828	0.563	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(CN)	N[6](C[6]C[6]C)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]N)(CN){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	119.8210	0.000	1	119.8210	0.000	1	119.8210	0.000	1	119.5828	0.563	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|S<4>,2|C<3>,2|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	119.3815	0.972	2	119.3815	0.945	2	120.1504	0.811	5	119.0244	3.094	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|S<4>,2|C<3>,2|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	120.9700	0.000	1	120.9700	0.000	1	120.1504	0.811	5	119.0244	3.094	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|S<4>,2|C<3>,2|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	120.5095	0.431	2	120.5095	0.185	2	120.1504	0.811	5	119.0244	3.094	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCC)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CN)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCC){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CN){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H){1|C<2>,2|H<1>,3|C<3>}	116.6530	0.195	2	116.6530	0.038	2	116.6530	0.038	2	119.0244	3.094	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CN)	N[6](C[6]C[6a]2C[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CN){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]2C[6])(C[6]C[6a]C[6])(H){1|C<2>,1|H<1>,7|C<3>}	118.1370	0.000	1	118.1370	0.000	1	118.1370	0.000	1	119.0244	3.094	8	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:3:	C[6]-3:N[6]-3:N-3:	C[6,6]-3:C[6]-3:C-2:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(N[6]C[5,6]C)(NHH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(CN)	N[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(COO)	C[6](C[6]C[6,6]C)(N[6]C[5,6]C)(NHH){4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(CN){2|C<4>,3|C<3>}	N[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(COO){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	119.6580	0.000	1	119.6580	0.000	1	119.6580	0.000	1	119.7978	0.763	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[3]-4:C[6]-3:C[6]-3:	C[6](N[6]C[3]C[6])(C[6]C[6]O)(CNO)	C[6](C[6]C[6]O)(C[6]N[6]C)(OFe)	N[6](C[3]C[3]2H)(C[6]C[6]C)2	C[6](N[6]C[3]C[6])(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	N[6](C[3]C[3]2H)(C[6]C[6]C)2{1|C<3>,1|O<2>,5|H<1>}	119.8443	1.064	3	119.8443	1.131	3	119.8443	1.131	3	119.7978	0.763	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[5a,6]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH)	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH){1|C<4>,1|S<4>,2|C<3>}	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	120.7463	1.517	3	120.7463	2.303	3	120.7463	2.303	3	120.6253	1.686	27	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	119.2290	0.000	1	119.2290	0.000	1	120.9453	0.442	22	120.6253	1.686	27	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	121.0205	0.531	15	121.0205	0.282	15	120.9453	0.442	22	120.6253	1.686	27	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OC)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	120.2360	0.000	1	120.2360	0.000	1	120.9453	0.442	22	120.6253	1.686	27	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCCH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCCH){1|O<2>,2|C<3>}	121.6100	0.000	1	121.6100	0.000	1	120.9453	0.442	22	120.6253	1.686	27	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	121.4385	0.636	2	121.4385	0.404	2	120.9453	0.442	22	120.6253	1.686	27	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	121.2210	0.000	1	121.2210	0.000	1	120.9453	0.442	22	120.6253	1.686	27	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	120.3170	0.000	1	120.3170	0.000	1	120.9453	0.442	22	120.6253	1.686	27	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:S-3:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo2)	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo2){2|C<4>,2|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]C)(SMo){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<2>,2|H<1>}	116.9235	0.500	2	116.9235	0.250	2	116.9235	0.250	2	120.6253	1.686	27	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[6])2(N[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Cu)	N[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]N[6])2(N[6]C[6]H){2|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Cu){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[6]C[6]2)(C[6]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	120.7640	0.000	1	120.7640	0.000	1	120.7640	0.000	1	120.7640	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|N<3>}	116.8430	0.000	1	117.4893	0.322	3	117.4893	0.322	3	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|N<3>}	117.8125	0.131	2	117.4893	0.322	3	117.4893	0.322	3	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.0695	0.104	2	117.5720	0.261	6	117.5720	0.261	6	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.7695	0.484	2	117.5720	0.261	6	117.5720	0.261	6	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.8770	0.540	2	117.5720	0.261	6	117.5720	0.261	6	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	116.7470	0.000	1	116.7470	0.000	1	117.1363	0.074	4	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	117.3490	0.000	1	117.2500	0.020	2	117.1363	0.074	4	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	117.1510	0.000	1	117.2500	0.020	2	117.1363	0.074	4	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|N<3>}	117.2980	0.000	1	117.2980	0.000	1	117.1363	0.074	4	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[5]-3:	C[6]-3:N[6]-3:C[5]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2)	C[6](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|N<3>,3|O<1>}	C[6](C[6]C[5]N[6])(N[6]C[6,6a]O)(C[5]N[5]2){2|C<3>,2|C<4>,2|N<3>,3|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|H<1>,3|C<3>,3|N<3>}	121.3500	0.346	2	121.3500	0.120	2	121.3500	0.120	2	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	117.1650	0.000	1	117.1650	0.000	1	117.0761	0.766	17	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	118.2590	0.000	1	118.2590	0.000	1	117.0761	0.766	17	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	117.3115	0.486	2	117.3115	0.236	2	117.0761	0.766	17	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	117.6820	0.586	4	117.6820	0.344	4	117.0761	0.766	17	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	116.6132	0.871	9	116.6132	0.759	9	117.0761	0.766	17	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(NC[3]H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NC[3]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	118.8020	0.000	1	118.8020	0.000	1	116.6097	3.544	37	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(NOO)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(NOO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	115.6030	0.000	1	115.6030	0.000	1	116.6097	3.544	37	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	118.3677	0.235	17	118.3677	0.055	17	116.6097	3.544	37	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	114.8835	0.930	18	114.8835	0.865	18	116.6097	3.544	37	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO)	N[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]N)2(O){1|C<3>,2|N<3>}	117.3390	0.000	2	117.3390	0.000	2	116.6645	0.619	4	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	C[6](C[6]N[6]N)2(NOO)	N[6](C[6]C[6]N)(C[6]N[6]N)(O)	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){3|N<3>}	C[6](C[6]N[6]N)2(NOO){1|C<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]N)(C[6]N[6]N)(O){1|C<3>,1|N<3>,1|O<2>}	115.9900	0.192	2	115.9900	0.037	2	116.6645	0.619	4	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(NCH)	C[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(NCH){1|S<1>,4|C<3>}	C[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]N){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,4|C<3>}	122.4570	0.475	2	122.4570	0.226	2	122.4570	0.226	2	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N){1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){3|C<3>}	117.4315	0.108	2	117.4315	0.012	2	118.0812	0.577	4	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH){1|C<4>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){3|C<3>,4|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	118.7310	0.174	2	118.7310	0.030	2	118.0812	0.577	4	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]H)	C[6](C[6]N[6]2)2(NOO)	N[6](C[6]C[6]N[6])(C[6]N[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]H){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]N[6]2)2(NOO){1|C<3>,1|H<1>,4|C<4>}	N[6](C[6]C[6]N[6])(C[6]N[6]N)(H){1|C<3>,1|N<3>,2|C<4>}	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N)(N[6]C[6]O)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NOO)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NOO){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.4350	0.000	1	117.4350	0.000	1	117.4350	0.000	1	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	N-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](NC[6a]C[3])(C[6]C[6]N)(N[6]C[6]H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](NC[6a]C[3])(C[6]C[6]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	118.4720	0.000	1	118.4720	0.000	1	118.4720	0.000	1	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	119.4350	0.000	1	119.4350	0.000	1	121.9095	12.246	2	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	124.3840	0.000	1	124.3840	0.000	1	121.9095	12.246	2	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CCH)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CCH){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CCH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	116.7720	0.000	1	116.7720	0.000	1	116.7720	0.000	1	117.3012	3.723	85	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6]C[6]2)(C[6]C[6]H)(OSn)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OSn){1|N<3>,2|C<3>,2|H<1>}	118.0060	0.000	1	118.0060	0.000	1	118.0060	0.000	1	116.9710	0.811	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	C[6](C[6]N[6]N)2(NOO)	N[6](C[6]C[6]N)(C[6]N[6]N)(OH)	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){3|N<3>}	C[6](C[6]N[6]N)2(NOO){1|C<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<3>,1|O<1>}	116.4535	0.124	2	116.4535	0.015	2	116.4535	0.015	2	116.9710	0.811	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(CC[6a]H)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]O)	N[6](C[6]C[6]C)(N[6]C[6]C)(COO)	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(CC[6a]H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	N[6](C[6]C[6]C)(N[6]C[6]C)(COO){1|C<3>,1|N<3>,2|H<1>}	111.8130	0.000	1	111.8130	0.000	1	111.8130	0.000	1	118.3355	22.043	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]2)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	119.7710	0.000	1	119.7710	0.000	1	119.7710	0.000	1	118.3355	22.043	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|C<4>,7|C<3>}	118.8070	0.000	1	118.8070	0.000	1	118.8070	0.000	1	118.3355	22.043	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:N[6]-3:C[6]-3:	N[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](N[6]C[6,6a]C[6a])2(C[6]N[6]2)	C[6](N[6]C[6,6a]C[6a])2(C[6]N[6]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](N[6]C[6,6a]C[6a])2(C[6]N[6]2){11|C<3>}	C[6](N[6]C[6,6a]C[6a])2(C[6]N[6]2){11|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2){2|N<3>,3|H<1>,6|C<3>}	122.9510	0.000	1	122.9510	0.000	1	122.9510	0.000	1	118.3355	22.043	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(CHO)	N[6](C[6]C[6]N)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]N)(C[6]N[6]O)(CHO){1|C<3>,2|C<4>}	N[6](C[6]C[6]N)(C[6]N[6]S)(CH3){1|C<4>,2|C<3>}	120.1580	0.000	1	120.1580	0.000	1	120.1580	0.000	1	120.9920	2.147	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:4:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(COO)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,6|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(COO){1|C<4>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|H<1>,1|O<2>,7|C<3>}	119.2010	0.000	1	119.2010	0.000	1	119.2010	0.000	1	120.9920	2.147	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:4:	N[6]-3:N[6]-3:C[6]-3:	N[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)2(C[6]N[6]2)	C[6](N[6]C[6,6a]C)2(C[6]N[6]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CCCH)	C[6](N[6]C[6,6a]C)2(C[6]N[6]2){2|C<4>,5|C<3>}	C[6](N[6]C[6,6a]C)2(C[6]N[6]2){2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CCCH){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	120.9115	0.603	2	120.9115	0.364	2	121.6483	1.702	4	120.9920	2.147	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:4:	N[6]-3:N[6]-3:C[6]-3:	N[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)2(C[6]N[6]2)	C[6](N[6]C[6,6a]C)2(C[6]N[6]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CC[6a]HH)	C[6](N[6]C[6,6a]C)2(C[6]N[6]2){2|C<4>,5|C<3>}	C[6](N[6]C[6,6a]C)2(C[6]N[6]2){2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(CC[6a]HH){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	122.3850	1.604	2	122.3850	2.572	2	121.6483	1.702	4	120.9920	2.147	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(CCO)	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(CCO){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	121.2030	0.000	1	121.2030	0.000	1	121.2030	0.000	1	119.7890	3.999	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]O)	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(CC[6a]H)	N[6](C[6]C[6a]C[6])(C[6]N[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(CC[6a]H){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[6]HH)(O){1|N<3>,4|C<3>}	118.3750	0.000	1	118.3750	0.000	1	118.3750	0.000	1	119.7890	3.999	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6]-3:B[6]-4:C[6a]-3:	C[6](C[6]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6](C[6]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2){1|N<3>,1|S<2>,2|F<1>,2|H<1>,6|C<3>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	122.3680	0.998	2	122.3680	0.997	2	122.3680	0.997	2	122.2656	0.258	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:N[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6]-3:B[6]-4:C[6a]-3:	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,7|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	122.1973	0.030	3	122.1973	0.001	3	122.1973	0.001	3	122.2656	0.258	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:S-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CC[6a]O)	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S){3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CC[6a]O){1|C<4>,1|S<4>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO){5|C<3>}	118.3690	0.000	1	118.3690	0.000	1	118.3690	0.000	1	118.3690	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	4:3:1:	N[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:N-3:	C[6,6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]N[6]N)(NIrO)	C[6](N[6]C[6,6]H)(C[6]N[6]N)(NIrO)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6,6]H)(C[6]N[6]N)(NIrO){2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]N[6]N)(NIrO){2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H){2|C<4>,2|N<3>,3|H<1>}	119.5620	0.356	2	119.5620	0.127	2	119.5620	0.127	2	119.5620	0.127	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CC[6a]O)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CC[6a]O){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO){5|C<3>}	117.8340	0.000	1	117.8340	0.000	1	117.8340	0.000	1	120.8080	2.831	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:N[6]-3:C-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C)	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O){1|H<1>,7|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|H<1>,6|C<3>}	121.4910	0.457	2	121.4910	0.209	2	121.4910	0.209	2	120.8080	2.831	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:N[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,9|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2){11|C<3>,2|H<1>}	121.7590	0.000	1	121.7590	0.000	1	121.7590	0.000	1	120.8080	2.831	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(COO)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(COO){6|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(COO){1|C<4>,2|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	121.4650	0.000	1	121.4650	0.000	1	121.4650	0.000	1	120.8080	2.831	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	122.9360	0.042	2	122.9360	0.002	2	122.9360	0.002	2	118.4395	8.768	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(SC[6a]OO){1|H<1>,4|C<3>}	119.9840	0.000	1	119.9840	0.000	1	116.3590	9.860	3	118.4395	8.768	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCC)	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCC){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){2|C<3>,2|H<1>}	114.5465	0.094	2	114.5465	0.009	2	116.3590	9.860	3	118.4395	8.768	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]O)	N[6](C[6]C[6]CO)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(NCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]O){1|C<3>,2|C<4>}	N[6](C[6]C[6]CO)(C[6]C[6]N)(CCHH){3|C<3>}	119.6070	0.000	1	119.6070	0.000	1	119.6070	0.000	1	118.4395	8.768	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]N[6]N)(N[6]C[6]C)(NC[6a]Co)	C[6](C[6]N[6]N)(N[6]C[6]C)(NC[6a]Co)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]N[6]N)(N[6]C[6]C)(NC[6a]Co){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]N)(N[6]C[6]C)(NC[6a]Co){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>,3|C<3>}	117.2015	0.548	2	117.2015	0.300	2	117.2015	0.300	2	118.4395	8.768	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	4:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6,6]-4:C[6]-3:C-4:	C[6](N[6]C[6,6]C)(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6]H)(C[6]N[6]N)(NOO)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]N)(NCH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]N)(NOO){1|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(CH3){1|N<3>,3|C<3>}	117.7180	0.000	2	117.7180	0.000	2	117.7180	0.000	2	118.4395	8.768	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:2:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH)	N[6](C[6]C[6]N)(N[6]C[6])(H)	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]N)(N[6]C[6])(H){1|C<4>,2|C<3>}	117.1090	0.000	1	117.1090	0.000	1	117.1090	0.000	1	117.1090	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)(O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)(O){1|C<4>,4|C<3>}	120.4340	0.000	1	120.4340	0.000	1	120.1570	0.153	2	118.5971	1.705	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(O){1|C<4>,4|C<3>}	119.8800	0.000	1	119.8800	0.000	1	120.1570	0.153	2	118.5971	1.705	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]O){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O){1|C<4>,2|C<3>}	122.3750	0.000	1	122.3750	0.000	1	122.3750	0.000	1	118.5971	1.705	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.6990	0.000	1	118.6990	0.000	1	118.1610	0.579	2	118.5971	1.705	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.6230	0.000	1	117.6230	0.000	1	118.1610	0.579	2	118.5971	1.705	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	119.9530	0.000	1	119.9530	0.000	1	119.9530	0.000	1	118.5971	1.705	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	118.4186	0.407	21	118.4186	0.166	21	118.5300	0.343	23	118.5971	1.705	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CHHO)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CHHO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	118.9160	0.000	1	118.9160	0.000	1	118.5300	0.343	23	118.5971	1.705	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	120.4840	0.000	1	120.4840	0.000	1	118.5300	0.343	23	118.5971	1.705	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(NH3)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<4>}	116.0812	0.230	4	116.0812	0.053	4	116.4650	0.776	5	118.5971	1.705	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(NH3)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	C[6](C[6]N[6]N)(C[6]N[6]O)(NH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<4>}	118.0000	0.000	1	118.0000	0.000	1	116.4650	0.776	5	118.5971	1.705	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	118.1160	0.000	1	118.1160	0.000	1	118.1160	0.000	1	118.5971	1.705	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	119.3530	0.000	1	119.3530	0.000	1	119.3530	0.000	1	118.5971	1.705	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6]O)(C[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(CH3)	N[6](C[6,6]C[5,6]C[6,6])(C[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6]O)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6,6]C[5,6]C[6,6])(C[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>,3|C<4>}	120.6030	0.266	2	120.6030	0.071	2	120.6030	0.071	2	118.5971	1.705	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:N[6]-3:S-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]O)(SCOO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]O)(SCOO){1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	119.1330	0.000	1	119.1330	0.000	1	119.1330	0.000	1	118.5971	1.705	39	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH){1|C<4>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,2|H<1>,5|C<3>}	118.4800	0.000	1	118.4800	0.000	1	118.4195	0.007	2	118.4195	0.007	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CH3)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CH3){1|C<4>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,2|H<1>,5|C<3>}	118.3590	0.000	1	118.3590	0.000	1	118.4195	0.007	2	118.4195	0.007	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6]-3:Ge[6]-3:Si-4:	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3){1|Si<4>,4|C<3>}	124.6900	0.000	1	124.1950	0.490	2	124.9260	0.941	5	123.5026	10.382	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6]-3:Ge[6]-3:Si-4:	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]C)(SiC3){1|Si<4>,4|C<3>}	123.7000	0.000	1	124.1950	0.490	2	124.9260	0.941	5	123.5026	10.382	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6]-3:Ge[6]-3:Si-4:	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]N)(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]N)(SiC3){1|Si<4>,4|C<3>}	125.2935	1.186	2	125.2935	1.406	2	124.9260	0.941	5	123.5026	10.382	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6]-3:Ge[6]-3:Si-4:	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]W)(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|N<3>,1|W<9>,2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(Ge[6]N[6,6a]W)(SiC3){1|Si<4>,4|C<3>}	125.6530	0.000	1	125.6530	0.000	1	124.9260	0.941	5	123.5026	10.382	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	Ge[6]-3:C[6]-3:Si-4:	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	N[6](Ge[6]N[6,6a]C[5])(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	N[6](Ge[6]N[6,6a]C[5])(C[6]C[6a]C[6])(SiC3){1|Si<4>,1|H<1>,6|C<3>}	125.2410	0.000	1	125.2410	0.000	1	124.8090	0.711	8	123.5026	10.382	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	Ge[6]-3:C[6]-3:Si-4:	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Ge<3>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3){1|Si<4>,2|N<3>,4|C<3>}	124.2355	1.008	2	124.2355	1.015	2	124.8090	0.711	8	123.5026	10.382	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	Ge[6]-3:C[6]-3:Si-4:	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	N[6](Ge[6]N[6,6a]Mo)(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Mo<9>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	N[6](Ge[6]N[6,6a]Mo)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	126.4110	0.000	1	126.4110	0.000	1	124.8090	0.711	8	123.5026	10.382	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	Ge[6]-3:C[6]-3:Si-4:	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	N[6](Ge[6]N[6,6a]Se)(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Se<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	N[6](Ge[6]N[6,6a]Se)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	124.7455	0.380	2	124.7455	0.144	2	124.8090	0.711	8	123.5026	10.382	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	Ge[6]-3:C[6]-3:Si-4:	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	N[6](Ge[6]N[6,6a]Te)(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Te<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	N[6](Ge[6]N[6,6a]Te)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	124.4290	0.328	2	124.4290	0.108	2	124.8090	0.711	8	123.5026	10.382	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH)	C[6](N[6]C[6]Ru)(C[6]N[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH){1|Ru<5>,1|C<5>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]N[6]C)(CH3){2|Ru<5>,1|C<3>,1|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){3|Ru<5>,1|C<4>,1|N<3>}	115.9330	0.000	1	115.9330	0.000	1	115.8075	0.032	2	123.5026	10.382	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH)	C[6](N[6]C[6]Ru)(C[6]N[6]C)(CH3)	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH){1|Ru<5>,1|C<4>,1|C<5>}	C[6](N[6]C[6]Ru)(C[6]N[6]C)(CH3){2|Ru<5>,1|C<3>,1|C<4>}	N[6](C[6]C[6]C)2(CH3){3|Ru<5>,1|C<4>,1|N<3>}	115.6820	0.000	1	115.6820	0.000	1	115.8075	0.032	2	123.5026	10.382	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]N[6]O)(CC[6a]HH)	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	121.3250	0.000	1	121.3250	0.000	1	121.3250	0.000	1	123.5026	10.382	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH)	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH){1|C<4>,1|S<4>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO){1|C<4>,1|S<4>,3|C<3>}	117.6805	0.207	2	117.6805	0.043	2	117.6805	0.043	2	117.6805	0.043	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	4:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6]-3:Si-4:	Ge[6]-4:C[6]-3:Si-4:	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	N[6](Ge[6]N[6,6]BH)(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	N[6](Ge[6]N[6,6]BH)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	124.5130	0.000	1	124.5130	0.000	1	124.3870	0.410	4	124.3870	0.410	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	4:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6]-3:Si-4:	Ge[6]-4:C[6]-3:Si-4:	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	N[6](Ge[6]N[6,6]ClB)(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Cl<1>,1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	N[6](Ge[6]N[6,6]ClB)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	123.6640	0.000	1	123.6640	0.000	1	124.3870	0.410	4	124.3870	0.410	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	4:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6]-3:Si-4:	Ge[6]-4:C[6]-3:Si-4:	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	N[6](Ge[6]N[6,6]ClCu)(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Cl<1>,1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	N[6](Ge[6]N[6,6]ClCu)(C[6]C[6a]C[6])(SiC3){1|Si<4>,4|C<3>}	124.1790	0.000	1	124.1790	0.000	1	124.3870	0.410	4	124.3870	0.410	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	4:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6]-3:Si-4:	Ge[6]-4:C[6]-3:Si-4:	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	N[6](Ge[6]N[6,6]Ge[6]Fe)(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Fe<5>,1|Ge<3>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	N[6](Ge[6]N[6,6]Ge[6]Fe)(C[6]C[6a]C[6])(SiC3){1|Si<4>,2|N<3>,4|C<3>}	125.1920	0.000	1	125.1920	0.000	1	124.3870	0.410	4	124.3870	0.410	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:1:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:S[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6]C[5a]N[6])(S[6]C[6]OO)(H)	N[6](C[6]C[5a]C[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(S[6]C[6]OO)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])2(H){1|S<4>,2|C<3>,2|H<1>,2|N<3>}	122.5180	0.000	1	122.5180	0.000	1	122.5180	0.000	1	123.2852	1.022	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:S[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(S[6]C[6]OO)(H)	N[6](C[6]C[6]2)2(H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(S[6]C[6]OO)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6]2)2(H){1|S<4>,2|C<3>,2|H<1>,2|N<3>}	124.2465	0.224	2	124.2465	0.050	2	124.1490	0.033	4	123.2852	1.022	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:S[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(S[6]C[6]OO)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(S[6]C[6]OO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]2)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	124.0515	0.105	2	124.0515	0.011	2	124.1490	0.033	4	123.2852	1.022	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:S[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(H)	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]S[6]H)(N[6]C[6]H){2|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])2(H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	121.8175	0.810	2	121.8175	0.656	2	122.7476	1.020	5	123.2852	1.022	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:S[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	123.3070	0.000	1	123.3070	0.000	1	122.7476	1.020	5	123.2852	1.022	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:S[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(H)	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])2(H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	123.3980	0.733	2	123.3980	0.537	2	122.7476	1.020	5	123.2852	1.022	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:B[5]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6])(B[5]O[5]2)(C[6]C[6]H)	C[6](N[6]B[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|B<3>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(B[5]O[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	120.6250	0.000	1	120.6250	0.000	1	120.6250	0.000	1	120.6250	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:1:	3:3:4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.1160	0.000	1	118.1160	0.000	1	118.1160	0.000	1	117.5205	0.709	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6](C[6]C[6a]N[6])(C[6]C[6]CH)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]CH)(H){1|H<1>,1|S<4>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	116.9250	0.000	1	116.9250	0.000	1	116.9250	0.000	1	117.5205	0.709	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:2:	3:2:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:C-2:	C[6]-3:N[6]-2:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN)	N[6](C[6]C[6a]C[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6])(H){1|C<2>,1|C<4>,3|C<3>}	116.6390	0.000	1	116.6390	0.000	1	116.6390	0.000	1	116.6390	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:2:	3:3:2:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:C-2:	C[6]-3:C[6a]-3:N[6]-2:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CN){1|N<2>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	116.5000	0.684	2	116.5000	0.469	2	116.5000	0.469	2	116.5000	0.469	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(NHS)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]N)	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(NHS){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]N){1|S<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(SC[6a]OO){1|C<4>,4|C<3>}	120.1700	0.000	1	120.1700	0.000	1	120.1700	0.000	1	118.9393	2.006	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]O)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,4|C<3>}	119.2570	0.000	1	119.2570	0.000	1	119.2570	0.000	1	118.9393	2.006	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:3:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-3:S-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(COO)	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(COO){1|S<4>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(SC[6a]OO){1|C<4>,4|C<3>}	117.3910	0.000	1	117.3910	0.000	1	117.3910	0.000	1	118.9393	2.006	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:S[6]-4:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]S[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]S[6]C)(N[6]C[6]H){2|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(S[6]C[6]OO)(CH3){2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]2)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	124.0425	0.936	2	124.0425	0.875	2	124.0425	0.875	2	124.0425	0.875	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<2>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	119.8940	0.000	1	119.2567	0.649	4	119.1850	0.712	11	119.6780	1.432	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	119.7500	0.000	1	119.2567	0.649	4	119.1850	0.712	11	119.6780	1.432	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	118.1180	0.000	1	119.2567	0.649	4	119.1850	0.712	11	119.6780	1.432	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	119.2650	0.000	1	119.2567	0.649	4	119.1850	0.712	11	119.6780	1.432	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])2(H){1|C<4>,1|H<1>,5|C<3>}	119.5700	0.202	2	119.5700	0.041	2	119.1850	0.712	11	119.6780	1.432	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(H){2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	118.2040	0.275	3	118.2040	0.076	3	119.1850	0.712	11	119.6780	1.432	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[5a]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	120.1280	0.000	2	120.1280	0.000	2	119.1850	0.712	11	119.6780	1.432	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(COO)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	122.4780	0.000	1	122.4780	0.000	1	122.4780	0.000	1	119.6780	1.432	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6])(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,5|C<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	120.5523	0.250	3	120.5523	0.062	3	120.5523	0.062	3	119.6780	1.432	15	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,7|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	121.0050	0.000	1	121.0050	0.000	1	121.0050	0.000	1	123.2100	9.724	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	P[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H)	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]P[6]H){2|H<1>,8|C<3>}	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6a]N[6])(H){9|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|P<4>,3|H<1>,6|C<3>}	125.4150	0.000	1	125.4150	0.000	1	125.4150	0.000	1	123.2100	9.724	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]S)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]S){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	118.8420	0.000	1	118.8420	0.000	1	118.8420	0.000	1	118.5664	1.664	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|N<3>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.5440	0.000	1	119.5440	0.000	1	119.7420	0.078	2	118.5664	1.664	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	119.9400	0.000	1	119.9400	0.000	1	119.7420	0.078	2	118.5664	1.664	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,1|S<4>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	117.2530	0.536	2	117.2530	0.287	2	117.2530	0.287	2	118.5664	1.664	5	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:4:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:S-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]HO)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]HO)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	117.3740	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	4:3:3:	C[6]-3:C[6a]-3:N[6]-3:	C[4,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C)	C[6](C[6]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,4|C<3>,4|H<1>}	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C){1|C<4>,2|H<1>,5|C<3>}	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	4:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[6](N[6]C[5,6]S)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	123.0350	0.000	1	123.0350	0.000	1	123.0350	0.000	1	123.0350	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	4:3:5:	N[6]-3:C[6]-3:O-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:Si-5:	C[6](N[6]C[6]Si)(C[6]C[6]H)(OLiC)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiLiCCO)	C[6](N[6]C[6]Si)(C[6]C[6]H)(OLiC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(H){1|Si<5>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiLiCCO){1|C<4>,3|H<1>}	126.5030	0.000	1	126.5030	0.000	1	126.5030	0.000	1	126.5030	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	N[6](C[6]C[5a]C[6])(C[6]C[6a]C[6])(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN){2|H<1>,5|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	117.8690	0.000	2	117.8690	0.000	2	118.4220	0.427	4	119.7780	0.839	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN)	N[6](C[6]C[5a]C[6])2(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]N[6])(CN){1|C<2>,1|H<1>,5|C<3>}	N[6](C[6]C[5a]C[6])2(H){1|C<4>,2|C<2>,4|C<3>}	118.9750	0.240	2	118.9750	0.058	2	118.4220	0.427	4	119.7780	0.839	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]N)(CN)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H){4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]N)(CN){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|C<4>}	120.0030	0.000	1	120.0030	0.000	1	120.0030	0.000	1	119.7780	0.839	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|C<4>}	119.9640	0.000	1	119.9640	0.000	1	119.9000	0.008	2	119.7780	0.839	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:1:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	N[6](C[6]C[6]N)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<4>,2|C<2>}	119.8360	0.000	1	119.8360	0.000	1	119.9000	0.008	2	119.7780	0.839	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN)	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN){1|C<2>,1|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])2(H){1|C<4>,2|C<2>,4|C<3>}	120.2233	0.590	10	120.0792	0.542	11	120.0792	0.542	11	119.7780	0.839	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN)	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CN){1|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])2(H){1|C<2>,1|C<4>,5|C<3>}	118.6380	0.000	1	120.0792	0.542	11	120.0792	0.542	11	119.7780	0.839	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:1:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){1|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	119.6595	0.556	2	119.6595	0.310	2	119.6595	0.310	2	119.7780	0.839	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]N[6])(CN){1|H<1>,6|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	121.1450	0.000	1	121.1450	0.000	1	121.1450	0.000	1	119.7780	0.839	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(CN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C){4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(CN){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,1|O<2>,4|C<3>}	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	119.7780	0.839	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[5,6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH){1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN){1|N<3>,1|O<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	120.2850	0.236	3	120.2850	0.056	3	120.2850	0.056	3	120.0451	0.177	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(CN){5|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	120.2230	0.522	3	120.2230	0.273	3	120.2230	0.273	3	120.0451	0.177	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){5|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	119.6720	0.000	1	119.6720	0.000	1	119.7318	0.091	4	120.0451	0.177	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.7420	0.000	1	119.7517	0.134	3	119.7318	0.091	4	120.0451	0.177	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	119.7565	0.517	2	119.7517	0.134	3	119.7318	0.091	4	120.0451	0.177	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN)	N[6](C[6]C[6]N)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	N[6](C[6]C[6]N)2(CH3){1|C<4>,2|C<2>}	120.1520	0.809	2	120.1520	0.654	2	120.1520	0.654	2	120.6090	0.954	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:2:	3:3:4:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-2:	C[5,6]-3:C[6]-3:C-4:	C[6](N[6]C[5,6]C)(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CN)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CC[6a]HH)	C[6](N[6]C[5,6]C)(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CN){1|C<4>,4|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	121.5230	0.000	1	121.5230	0.000	1	121.5230	0.000	1	120.6090	0.954	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a]N[6])(CSS)	N[6](C[6]C[5a]C[6])(C[6]N[6]O)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[5a]N[6])(CSS){1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]C[5a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.1730	0.000	1	119.1730	0.000	1	119.1730	0.000	1	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]N[6])(CC[6a]O)	N[6](C[6]C[6a]C[6])(C[6]N[5,6]S)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]N[6])(CC[6a]O){1|N<2>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[5,6]S)(H){1|C<4>,1|N<2>,3|C<3>}	119.6990	0.000	1	119.6990	0.000	1	119.6990	0.000	1	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6]H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	120.8250	0.000	1	120.8250	0.000	1	120.8250	0.000	1	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(N[6]C[6]H)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(COO){1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|C<4>}	122.0670	0.000	1	122.0670	0.000	1	122.0670	0.000	1	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){3|C<3>,3|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	119.7710	0.000	1	119.7710	0.000	1	119.4423	0.082	3	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	119.2780	0.034	2	119.2780	0.001	2	119.4423	0.082	3	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CNS)	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CNS){1|C<2>,1|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])2(H){1|C<2>,1|C<4>,5|C<3>}	119.5250	0.000	1	119.5250	0.000	1	119.6772	0.394	11	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){1|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	119.1990	0.000	1	119.1990	0.000	1	119.6772	0.394	11	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){1|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])2(H){1|C<4>,6|C<3>}	120.0340	0.322	2	120.1405	0.050	4	119.6772	0.394	11	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])2(H){1|C<4>,1|H<1>,5|C<3>}	120.2470	0.004	2	120.1405	0.050	4	119.6772	0.394	11	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO){2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	119.2777	0.796	4	119.4326	0.595	5	119.6772	0.394	11	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO){2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	120.0520	0.000	1	119.4326	0.595	5	119.6772	0.394	11	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	117.5170	0.129	2	117.5170	0.017	2	117.5170	0.017	2	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	122.7000	0.000	1	122.7000	0.000	1	122.7000	0.000	1	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CHO)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CHO){1|H<1>,1|N<2>,5|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<2>,5|C<3>}	120.4600	0.000	1	120.4600	0.000	1	120.7735	0.197	2	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]N[5a,6]HH)(C[6]C[6a]N[6])(CHO)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6a]N[6])(CHO){1|H<1>,1|N<2>,3|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<2>,5|C<3>}	121.0870	0.000	1	121.0870	0.000	1	120.7735	0.197	2	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(CC[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(CC[6a]O){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,5|C<3>}	119.9480	0.000	1	119.9480	0.000	1	119.9480	0.000	1	119.8237	1.400	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO){6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,2|H<1>,4|C<3>}	122.4245	0.095	2	122.4245	0.009	2	122.4245	0.009	2	121.4951	1.277	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	123.6540	0.000	1	123.1905	0.430	2	122.2121	0.699	9	121.4951	1.277	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N){1|C<4>,1|H<1>,5|C<3>}	122.7270	0.000	1	123.1905	0.430	2	122.2121	0.699	9	121.4951	1.277	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,3|H<1>,4|C<3>}	121.8720	0.000	1	121.9326	0.451	7	122.2121	0.699	9	121.4951	1.277	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.8300	0.000	1	121.9326	0.451	7	122.2121	0.699	9	121.4951	1.277	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	122.4180	0.346	2	121.9326	0.451	7	122.2121	0.699	9	121.4951	1.277	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|H<1>,4|C<3>}	121.3300	0.327	3	121.9326	0.451	7	122.2121	0.699	9	121.4951	1.277	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CNO)	N[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CNO){5|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	121.2740	0.000	1	121.2740	0.000	1	121.2740	0.000	1	121.4951	1.277	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O)	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]N)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH){1|H<1>,1|S<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O){5|C<3>}	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]N){1|C<4>,2|H<1>,5|C<3>}	120.2600	0.000	1	120.2600	0.000	1	119.9055	0.251	2	121.4951	1.277	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(COO)	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]N)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH){1|H<1>,1|S<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(COO){5|C<3>}	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]N){1|C<4>,2|H<1>,5|C<3>}	119.5510	0.000	1	119.5510	0.000	1	119.9055	0.251	2	121.4951	1.277	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|H<1>,4|C<3>}	119.9150	0.000	1	119.9150	0.000	1	120.5128	0.211	5	121.4951	1.277	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CC[6a]O)	N[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CC[6a]O){1|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]S){1|C<4>,3|H<1>,4|C<3>}	120.3270	0.000	1	120.3270	0.000	1	120.5128	0.211	5	121.4951	1.277	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CNO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CNO){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|H<1>,4|C<3>}	120.3690	0.000	1	120.3690	0.000	1	120.5128	0.211	5	121.4951	1.277	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO){5|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N){1|C<4>,1|H<1>,5|C<3>}	120.9930	0.000	1	120.9930	0.000	1	120.5128	0.211	5	121.4951	1.277	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|H<1>,4|C<3>}	120.9600	0.000	1	120.9600	0.000	1	120.5128	0.211	5	121.4951	1.277	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(CCHH)	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]C){1|Fe<10>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(CCHH){1|Fe<10>,2|C<4>,3|C<3>}	121.9070	0.000	1	121.9070	0.000	1	121.9070	0.000	1	118.8440	7.294	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	N[6](C[6]C[6]N)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]N)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	116.8050	0.000	1	116.8050	0.000	1	116.8050	0.000	1	118.8440	7.294	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:4:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:S-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CHO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CHO){1|S<4>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	117.8200	0.000	1	117.8200	0.000	1	117.8200	0.000	1	118.8440	7.294	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:4:3:	N[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	124.1560	0.000	1	124.1560	0.000	1	124.1560	0.000	1	124.1560	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	4:3:1:	C[6]-3:N[6]-3:N-3:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]N)(NOO)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	117.9480	0.000	1	117.9480	0.000	1	117.9480	0.000	1	120.4350	12.370	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	4:3:1:	C[6]-3:N[6]-3:N-3:	P[6]-4:C[6]-3:P-3:	B[6]-4:C[6]-3:H-1:	C[6](C[6]P[6]P)(N[6]B[6]H)(NC[6a]H)	C[6](P[6]C[6a]2N[6])(C[6]N[6]N)(PC[6a]2)	N[6](B[6]C[6a]2N[6])(C[6]C[6]N)(H)	C[6](C[6]P[6]P)(N[6]B[6]H)(NC[6a]H){1|N<3>,4|C<3>}	C[6](P[6]C[6a]2N[6])(C[6]N[6]N)(PC[6a]2){1|B<4>,1|H<1>,5|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]C[6]N)(H){1|P<3>,1|P<4>,5|C<3>}	122.9220	0.000	1	122.9220	0.000	1	122.9220	0.000	1	120.4350	12.370	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	4:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]N[6]HH)(C[6]N[6]C)(COO)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]N[6]C)(COO){1|C<4>,2|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	121.7543	0.405	13	121.7543	0.164	13	121.7543	0.164	13	121.7543	0.164	13	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	4:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO)	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO){3|C<4>}	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3){1|N<3>,2|C<4>}	116.7320	0.000	1	116.7320	0.000	1	117.0505	0.203	2	117.0505	0.203	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	4:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO)	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]N[6]N)(NOO){3|C<4>}	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3){1|N<3>,2|C<4>}	117.3690	0.000	1	117.3690	0.000	1	117.0505	0.203	2	117.0505	0.203	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:4:	3:3:1:	C[6]-3:C[6a]-3:N[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H){1|Fe<10>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H){1|Fe<10>,2|C<3>,3|C<4>}	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:4:	3:3:3:	N[6]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2){1|Fe<10>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6a]N[6])(CH3){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]2){1|Fe<10>,2|H<1>,3|C<4>,4|C<3>}	120.7470	0.537	2	120.7470	0.289	2	120.7470	0.289	2	120.7470	0.289	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:4:	4:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:S-4:	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(N[6]C[6,6]S)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]N[6])(CH3)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6])(SC[6a]OO)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(N[6]C[6,6]S){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]N[6])(CH3){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	121.4380	0.000	1	121.4380	0.000	1	121.4380	0.000	1	120.8970	0.585	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:3:	4:3:4:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(COO)	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3)	N[6](C[6]C[6]OO)(C[6]C[6]C)(SCOO)	C[6](C[6]C[6]C)(N[6]C[6]S)(COO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3){1|C<4>,1|S<4>,2|O<2>}	N[6](C[6]C[6]OO)(C[6]C[6]C)(SCOO){2|C<4>,2|O<2>}	120.3560	0.000	1	120.3560	0.000	1	120.3560	0.000	1	120.8970	0.585	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	2:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	S[6]-2:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3)	C[6](S[6]C[6,6a])(C[6]N[6]C)(CCO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3){2|C<3>}	C[6](S[6]C[6,6a])(C[6]N[6]C)(CCO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|S<2>,3|C<3>}	123.0950	0.000	1	123.0950	0.000	1	123.0950	0.000	1	123.0950	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	2:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[6]-2:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CBrHH)	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CBrHH){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.9000	0.000	1	117.9000	0.000	1	117.4987	0.161	3	118.0860	0.411	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	2:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[6]-2:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3)	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.2980	0.284	2	117.2980	0.081	2	117.4987	0.161	3	118.0860	0.411	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	2:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[6]-2:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.5265	0.333	4	118.5265	0.111	4	118.5265	0.111	4	118.0860	0.411	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:2:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	115.7320	0.696	3	115.7320	0.484	3	115.7320	0.484	3	115.7320	0.484	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:2:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:S[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]S[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]N[6]C)(S[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]S[6]H)(N[6]C[6]C)(CH3){1|C<4>,1|O<1>}	C[6](C[6]N[6]C)(S[6]C[6])(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	122.3590	0.000	1	122.3590	0.000	1	122.3590	0.000	1	122.3590	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:2:1:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]O[6]H)(N[6]C[6]S)(CH3)	C[6](C[6]N[6]C)(O[6]C[6])(H)	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]O[6]H)(N[6]C[6]S)(CH3){1|C<4>,2|H<1>}	C[6](C[6]N[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,1|O<2>,2|H<1>}	119.1420	0.000	1	119.1420	0.000	1	119.1420	0.000	1	119.1420	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:2:3:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:C-3:	B[6]-4:C[6]-3:H-1:	C[6](C[6]N[6]C)(N[6]B[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]N[6])(CCO)	N[6](B[6]C[6a]2N[6])(C[6]C[6]C)(H)	C[6](C[6]N[6]C)(N[6]B[6]H)(CH3){1|N<3>,2|C<3>}	C[6](C[6]N[6]C)(N[6]N[6])(CCO){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6]C[6a]2N[6])(C[6]C[6]C)(H){1|N<2>,6|C<3>}	116.9330	0.980	2	116.9330	0.960	2	116.9330	0.960	2	116.9330	0.960	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:2:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH)	C[6](C[6]N[6]C)(N[6]C[6])(CCHH)	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|S<2>}	C[6](C[6]N[6]C)(N[6]C[6])(CCHH){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|N<2>,1|S<2>}	117.4190	0.424	2	117.4190	0.180	2	116.8953	0.143	18	117.0390	0.233	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:2:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<2>,2|C<4>}	116.7160	0.289	6	116.8828	0.160	8	116.8953	0.143	18	117.0390	0.233	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:2:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	117.3830	0.191	2	116.8828	0.160	8	116.8953	0.143	18	117.0390	0.233	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:2:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)2(H){1|N<2>,2|C<4>}	116.7769	0.259	8	116.7769	0.067	8	116.8953	0.143	18	117.0390	0.233	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:2:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)2(O){1|N<2>,2|C<4>}	117.6860	0.373	4	117.6860	0.139	4	117.6860	0.139	4	117.0390	0.233	22	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:2:4:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)2(CH3){1|N<2>,2|C<4>}	117.5875	0.029	2	117.5875	0.001	2	117.5875	0.001	2	117.5875	0.001	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(BC[6a]3)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	N[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	115.5802	0.384	5	115.5802	0.148	5	115.5802	0.148	5	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(CH3){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	118.3390	0.000	1	118.3390	0.000	1	118.3390	0.000	1	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(Br)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	117.0025	0.807	2	117.0025	0.651	2	117.5957	1.381	3	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]O)(Br)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3){1|O<1>,2|N<3>}	C[6](C[6]N[6]C)(C[6]N[6]O)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	118.7820	0.000	1	118.7820	0.000	1	117.5957	1.381	3	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl)	N[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cl<1>,1|C<3>}	116.9270	0.124	2	116.9270	0.015	2	116.9270	0.015	2	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:D-1:	C[6](C[6]C[6]H)(N[6]C[6]D)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(D)	C[6](C[6]C[6]H)(N[6]C[6]D)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|D<1>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(D){1|C<3>,2|H<1>}	117.5010	0.000	1	117.5010	0.000	1	117.5010	0.000	1	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CBHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	115.7640	0.000	1	115.7640	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.1960	0.000	1	118.1960	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	118.8200	0.047	2	118.8200	0.002	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	117.2983	0.206	6	118.4010	3.013	9	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	120.6063	1.002	3	118.4010	3.013	9	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	116.2880	0.000	1	116.2880	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	116.8950	0.378	2	116.8950	0.143	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	119.0950	0.573	2	119.0950	0.328	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]N[6]Se)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH){1|Se<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]N[6]Se)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	118.9964	0.216	5	118.9964	0.047	5	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.5549	1.807	15	117.5549	3.265	15	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	118.0643	0.379	4	118.0643	0.144	4	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]Os)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Os<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Os)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	117.7640	0.000	1	117.6910	0.011	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]Os)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Os<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Os)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	117.6180	0.000	1	117.6910	0.011	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	119.3636	0.380	12	119.3071	0.126	16	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	119.1375	0.222	4	119.3071	0.126	16	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]N[5a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]N[5a]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	117.9770	0.102	2	117.9770	0.010	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]N[6]Se)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Se<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]N[6]Se)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.1470	0.787	4	119.1470	0.619	4	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCOO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	118.4655	0.571	2	118.4655	0.326	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	119.1220	0.000	1	119.1220	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]OO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.4270	0.000	1	118.4270	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]CO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.1105	1.971	2	117.1105	3.884	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.1435	0.684	2	118.1435	0.468	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	118.0845	0.369	4	118.0845	0.136	4	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.7880	0.000	1	119.7880	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.0430	0.000	1	119.0430	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	119.0910	0.103	2	119.0910	0.011	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCuCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCuCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.9510	0.000	1	117.9510	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CF3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CF3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	120.8117	0.166	3	120.8117	0.028	3	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|B<3>,1|C<3>,1|C<4>}	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|C<3>,2|H<1>,2|O<2>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	117.3045	0.077	2	117.3045	0.006	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]B)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.2020	0.000	1	118.2020	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.3139	0.641	15	118.3139	0.411	15	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.6905	0.110	2	118.6905	0.012	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	118.0874	0.523	24	118.0874	0.273	24	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	116.7685	1.002	2	116.7685	1.004	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	118.5530	0.000	1	118.5530	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.9077	0.582	7	117.6194	0.453	34	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.5453	0.698	26	117.6194	0.453	34	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	117.5260	0.000	1	117.6194	0.453	34	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.0537	0.661	3	118.4155	0.633	51	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.4381	0.804	48	118.4155	0.633	51	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	118.2785	0.528	2	118.2785	0.279	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	117.9370	0.000	1	117.9370	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	118.2190	0.223	2	118.2190	0.050	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>}	118.1845	0.074	2	118.0454	0.652	70	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	117.2320	0.301	9	118.0454	0.652	70	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	118.1648	0.803	59	118.0454	0.652	70	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Ir)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	117.7230	0.000	1	117.7230	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	119.2370	0.000	1	119.2370	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]Os)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Os<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Os)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.5020	0.000	1	119.0070	0.490	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]Os)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Os<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Os)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	118.5120	0.000	1	119.0070	0.490	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	118.4736	0.498	7	118.4736	0.248	7	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.5540	0.000	1	118.5540	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	117.6877	0.708	3	117.7848	0.372	4	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|N<3>}	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	118.0760	0.000	1	117.7848	0.372	4	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	118.8820	0.107	3	118.8820	0.011	3	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	118.4232	0.290	6	118.9219	0.487	11	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|O<1>,2|N<3>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	119.5204	0.540	5	118.9219	0.487	11	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<2>,1|O<2>,1|S<2>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	118.2180	0.000	1	119.6079	0.440	7	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	119.8395	0.278	6	119.6079	0.440	7	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]N[6]Se)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Se<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]N[6]Se)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.5720	0.000	1	119.5720	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	118.2985	0.728	33	118.0489	0.518	48	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,2|N<2>}	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	117.4997	0.244	15	118.0489	0.518	48	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]C)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	119.2534	0.496	7	119.2212	0.191	10	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]N[6]C)2(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	119.1460	0.331	3	119.2212	0.191	10	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|N<3>,1|S<1>}	C[6](C[6]N[6]C)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	119.2470	0.000	1	118.4353	1.363	12	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<1>}	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	117.1810	0.000	1	118.4353	1.363	12	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	118.1410	1.691	5	118.4353	1.363	12	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]N[6]C)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	118.8182	0.201	5	118.4353	1.363	12	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.3389	0.752	77	118.3389	0.566	77	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.2580	0.000	1	118.2580	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	118.3185	0.660	6	118.4327	0.454	7	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	119.1180	0.000	1	118.4327	0.454	7	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	118.6037	0.427	4	118.6037	0.182	4	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.2470	0.221	2	118.2470	0.049	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	120.7643	0.329	3	120.7643	0.108	3	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.5485	0.112	2	118.5485	0.013	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.0533	0.703	3	118.0426	0.384	7	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.0345	0.663	4	118.0426	0.384	7	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	118.1965	0.217	2	118.1965	0.047	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.5130	0.000	1	118.5130	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	118.1890	0.579	3	118.1890	0.335	3	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.3425	0.306	2	118.3425	0.094	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5a]HH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.3180	0.000	1	118.3180	0.000	1	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.0640	0.192	2	118.0640	0.037	2	118.2971	0.863	515	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.6070	0.000	1	119.6070	0.000	1	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	118.1230	0.626	4	118.1230	0.391	4	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	118.5455	0.869	2	118.5455	0.755	2	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.4475	0.476	2	119.4475	0.226	2	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	118.1280	0.000	1	118.1280	0.000	1	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.1930	0.089	2	119.1930	0.008	2	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6]3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	118.0060	0.000	1	118.0060	0.000	1	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	118.8940	0.000	1	118.8940	0.000	1	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	119.3440	0.000	1	119.3440	0.000	1	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	118.6140	0.000	1	118.6140	0.000	1	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]2)(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	119.4020	0.000	1	119.4020	0.000	1	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]2)(C[6]C[6]C)(O){1|C<3>,2|C<4>,3|H<1>}	118.8317	0.254	3	118.8317	0.065	3	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Br<1>,1|C<3>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,1|H<1>}	114.7110	0.000	1	117.5158	0.901	13	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	117.7495	0.456	12	117.5158	0.901	13	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	118.8350	0.000	1	118.8350	0.000	1	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	118.3967	0.624	3	118.3967	0.390	3	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	118.7960	0.000	1	118.7960	0.000	1	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	118.8090	0.000	1	118.8090	0.000	1	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	119.1750	0.000	1	119.1750	0.000	1	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	119.7789	0.378	9	119.7789	0.143	9	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	118.0695	0.948	2	118.0695	0.899	2	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.8925	0.248	2	119.8925	0.062	2	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	118.6040	0.066	2	118.6040	0.004	2	118.6365	1.006	55	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.4010	0.000	1	117.4010	0.000	1	118.4560	0.836	3	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.9835	0.047	2	118.9835	0.002	2	118.4560	0.836	3	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	117.8418	0.611	6	118.0634	0.351	11	118.0793	0.322	12	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|N<3>,2|H<1>}	118.4493	0.486	4	118.0634	0.351	11	118.0793	0.322	12	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	117.8490	0.000	1	118.0634	0.351	11	118.0793	0.322	12	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)2(O){1|C<4>,1|H<1>,1|N<3>}	118.2550	0.000	1	118.2550	0.000	1	118.0793	0.322	12	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[5a,6]H)(N[6]C[6]O)(CH3)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(H)	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O)	C[6](C[6]N[5a,6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(H){1|O<1>,4|C<3>}	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH3)	C[6](C[6]N[6]N)2(H)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH3){1|N<3>,2|N<4>}	C[6](C[6]N[6]N)2(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	118.9815	0.084	2	118.9815	0.007	2	118.9815	0.007	2	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	118.6235	0.317	2	118.5923	0.053	3	118.5259	0.380	9	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	118.5300	0.000	1	118.5923	0.053	3	118.5259	0.380	9	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	N[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	118.4120	0.000	1	118.4120	0.000	1	118.5259	0.380	9	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	118.3748	0.921	4	118.3748	0.849	4	118.5259	0.380	9	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]P)(C[6]N[6]P)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]P)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	119.0450	0.000	1	119.0450	0.000	1	118.5259	0.380	9	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SiC3)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]Ir)(C[6]C[6]Si)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SiC3){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Ir)(C[6]C[6]Si)(H){1|C<3>,2|H<1>}	117.0800	0.000	1	117.0800	0.000	1	116.3640	0.385	3	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(SiCCO)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]Si)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SiCCO){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]Si)2(H){1|C<3>,2|H<1>}	116.0060	0.033	2	116.0060	0.001	2	116.3640	0.385	3	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]O)(C[6]N[6]C)(H)	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(CH3){1|O<1>,2|N<3>}	C[6](C[6]N[5,6]O)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	120.1520	0.105	2	120.1520	0.011	2	120.1520	0.011	2	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H){1|C<3>,1|O<1>,1|O<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<3>}	120.1200	0.000	1	120.1200	0.000	1	120.1200	0.000	1	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|Y<14>,1|H<1>,1|O<3>,3|C<3>}	117.4240	0.000	1	117.4745	0.005	2	117.4745	0.005	2	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|Yb<14>,1|H<1>,1|O<3>,3|C<3>}	117.5250	0.000	1	117.4745	0.005	2	117.4745	0.005	2	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	118.1550	0.000	1	118.1550	0.000	1	118.6664	0.409	49	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.0850	0.000	1	119.0850	0.000	1	118.6664	0.409	49	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.2780	0.226	7	119.2780	0.051	7	118.6664	0.409	49	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	118.9750	0.113	2	118.9750	0.013	2	118.6664	0.409	49	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	118.4268	0.404	21	118.4187	0.241	23	118.6664	0.409	49	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	118.3345	1.428	2	118.4187	0.241	23	118.6664	0.409	49	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	118.8620	0.000	1	118.8620	0.000	1	118.6664	0.409	49	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	118.3245	0.367	11	118.3245	0.135	11	118.6664	0.409	49	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	120.1527	0.172	3	120.1527	0.030	3	118.6664	0.409	49	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(CH3){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	119.0430	0.000	1	119.0430	0.000	1	119.0430	0.000	1	118.3253	0.918	667	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(NW)	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]C)2(NW){1|C<3>,2|H<1>}	118.3360	1.261	4	118.3360	1.590	4	118.3360	1.590	4	120.5915	6.449	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(OB)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6]C)2(OB){1|C<3>,2|H<1>}	117.5975	0.354	2	117.5975	0.126	2	117.5975	0.126	2	120.5915	6.449	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<4>,1|H<1>,1|N<3>}	118.3800	0.000	1	117.9840	0.314	2	117.9840	0.314	2	120.5915	6.449	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<4>,1|H<1>,1|N<3>}	117.5880	0.000	1	117.9840	0.314	2	117.9840	0.314	2	120.5915	6.449	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(PO3)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(OCo)	C[6](C[6]C[6]H)(N[6]C[6]O)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]P)(OCo){1|C<3>,2|H<1>}	117.8110	0.000	1	117.8110	0.000	1	117.8110	0.000	1	120.5915	6.449	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:Ga[6]-2:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6])	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	120.3290	0.851	2	120.3290	0.725	2	121.7518	2.986	4	120.5915	6.449	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:Ga[6]-2:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6])	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ga[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	123.1745	0.371	2	123.1745	0.138	2	121.7518	2.986	4	120.5915	6.449	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:Ge[6]-2:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CBHH)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CBHH){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	119.8390	0.000	1	119.8390	0.000	1	121.4182	1.256	6	120.5915	6.449	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:Ge[6]-2:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	120.7800	0.000	1	120.7800	0.000	1	121.4182	1.256	6	120.5915	6.449	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:Ge[6]-2:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	121.5623	0.255	3	121.9725	0.716	4	121.4182	1.256	6	120.5915	6.449	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:Ge[6]-2:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	123.2030	0.000	1	121.9725	0.716	4	121.4182	1.256	6	120.5915	6.449	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:In[6]-2:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(In[6]N[6])	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|In<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(In[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	124.3397	0.162	4	124.3397	0.026	4	124.3397	0.026	4	120.5915	6.449	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:Si[6]-2:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6])	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	119.0030	0.000	1	119.0030	0.000	1	119.0030	0.000	1	120.5915	6.449	24	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(BCl2)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)2(BCl2){1|C<3>,2|H<1>}	118.7460	0.492	2	118.7460	0.242	2	118.7460	0.242	2	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	117.9420	0.706	2	117.9420	0.498	2	117.9420	0.498	2	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S)	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S){1|C<3>,2|H<1>}	116.9340	0.000	1	116.9340	0.000	1	116.9340	0.000	1	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn2)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn2){1|C<3>,2|H<1>}	117.4820	0.000	1	117.4820	0.000	1	117.4820	0.000	1	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]H)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|C<4>,1|H<1>,1|N<3>}	117.5325	0.214	2	117.5325	0.046	2	117.5325	0.046	2	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	B[6]-3:C[6]-3:C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](B[6]C[6]2)(C[6]C[6]C)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](B[6]C[6]2)(C[6]C[6]C)2{3|C<3>,4|H<1>}	119.9850	0.000	1	119.9850	0.000	1	119.9850	0.000	1	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	B[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CBHH)	C[6](C[6]N[6]C)2(H)	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CBHH){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|B<3>,2|C<3>}	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	117.9090	0.000	1	117.9090	0.000	1	118.8953	0.432	4	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	B[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|B<3>,2|C<3>}	N[6](B[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	119.2240	0.009	3	119.2240	0.000	3	118.8953	0.432	4	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	B[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](B[6a]O[6a]2)(C[6]C[6]C)2	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](B[6a]O[6a]2)(C[6]C[6]C)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	118.9032	0.376	4	118.9032	0.142	4	118.9032	0.142	4	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:B[6]-3:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(B[6]N[6]F)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|B<3>,2|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]F)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	115.6930	0.082	2	115.6930	0.007	2	117.2595	3.331	4	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:B[6]-3:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(B[6]N[6]O)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|B<3>,2|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]O)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	118.8260	0.413	2	118.8260	0.171	2	117.2595	3.331	4	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<1>,2|C<3>}	C[6](C[6]N[6]C)2(H){2|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]N[6]S){2|H<1>,4|C<3>}	118.1420	0.000	1	118.1420	0.000	1	118.9080	0.358	4	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,4|H<1>}	119.1633	0.383	3	119.1633	0.146	3	118.9080	0.358	4	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	120.4060	0.884	2	120.4060	0.781	2	123.2540	0.804	26	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Al)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Al<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Al)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.1995	0.060	2	123.1995	0.004	2	123.2540	0.804	26	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ga[6]N[6]B)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]B)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.3335	0.215	4	123.3335	0.046	4	123.2540	0.804	26	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Co)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Co<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Co)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.5493	0.135	4	123.5493	0.018	4	123.2540	0.804	26	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ga<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.3025	0.011	2	123.3025	0.000	2	123.2540	0.804	26	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ni)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ni<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ni)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.2720	0.509	2	123.6266	0.126	8	123.2540	0.804	26	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ni)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ni<7>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ni)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.7448	0.240	6	123.6266	0.126	8	123.2540	0.804	26	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Rh)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Rh<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Rh)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.6490	0.191	2	123.6490	0.036	2	123.2540	0.804	26	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ga[6]N[6]W)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|W<6>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]W)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.4725	0.281	2	123.4725	0.079	2	123.2540	0.804	26	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CGe[4]HH)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CGe[4]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.0100	0.000	1	121.0100	0.000	1	122.8837	0.390	79	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	N[6](C[6a]C[6a]2)(Ge[6]O[6]Cl)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ge<3>,1|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]O[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	122.6540	0.000	1	122.6540	0.000	1	122.8837	0.390	79	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.6900	0.000	1	123.3696	0.186	13	122.8837	0.390	79	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]C)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.4262	0.397	12	123.3696	0.186	13	122.8837	0.390	79	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.1677	0.194	4	122.1677	0.038	4	122.8837	0.390	79	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ge[6]N[6]H)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]H)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.7070	0.219	2	122.7070	0.048	2	122.8837	0.390	79	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.8452	0.353	6	123.1464	0.192	16	122.8837	0.390	79	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]N)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.3271	0.392	10	123.1464	0.192	16	122.8837	0.390	79	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]O)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.8712	0.564	19	122.8712	0.318	19	122.8837	0.390	79	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<1>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.7875	0.315	2	122.8666	0.308	12	122.8837	0.390	79	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]P)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.8824	0.603	10	122.8666	0.308	12	122.8837	0.390	79	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ge[6]N[6]Se)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Se<2>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]Se)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.5695	0.250	6	122.5695	0.062	6	122.8837	0.390	79	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ge[6]N[6]Te)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Te<2>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]Te)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.6640	0.785	2	122.6640	0.616	2	122.8837	0.390	79	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHHP)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHHP){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.6580	0.759	2	122.6580	0.577	2	122.8837	0.390	79	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Ge[6]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CSi[4]HH)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CSi[4]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Ge[6]N[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	120.9050	0.000	1	120.9050	0.000	1	122.8837	0.390	79	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6](N[6]C[6a]P[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N[6](C[6a]C[6a]2)(P[6]C[6]Cl)(C[6]C[6]C)	C[6](N[6]C[6a]P[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|P<3>,2|H<1>}	N[6](C[6a]C[6a]2)(P[6]C[6]Cl)(C[6]C[6]C){2|C<4>,3|C<3>,3|H<1>}	121.9340	0.000	1	121.9340	0.000	1	121.9340	0.000	1	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Si[6]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CBHH)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Si[6]N[6]Ni)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CBHH){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Si[6]N[6]Ni)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.8080	0.252	2	118.8080	0.063	2	120.1292	2.350	4	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:Si[6]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(Si[6]N[6]Ni)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<3>,2|C<3>}	N[6](C[6a]C[6a]2)(Si[6]N[6]Ni)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.4505	0.064	2	121.4505	0.004	2	120.1292	2.350	4	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](Ge[6]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,2|H<1>,6|C<3>}	122.8745	0.445	2	122.8745	0.198	2	122.6538	0.131	4	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]Ge[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	N[6](Ge[6]Ge[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	122.4330	0.031	2	122.4330	0.001	2	122.6538	0.131	4	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	119.8040	0.000	1	119.8040	0.000	1	119.8040	0.000	1	122.0285	3.912	140	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]Br)(N[6]C[6]C)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(Br)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]Br)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(Br){1|C<4>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Br<1>,2|C<3>}	117.3880	0.202	2	117.3880	0.041	2	117.3880	0.041	2	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC3)	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC3){1|C<3>,2|H<1>}	119.3205	0.071	2	119.3205	0.005	2	120.1809	0.581	12	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2C)	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2C){1|C<3>,2|H<1>}	119.0660	0.000	1	119.0660	0.000	1	120.1809	0.581	12	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	119.9280	0.000	1	119.9280	0.000	1	120.1809	0.581	12	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BCl3)	C[6](C[6]C[6]H)(N[6]C[6]B)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BCl3){1|C<3>,2|H<1>}	119.6340	0.072	2	119.6340	0.005	2	120.1809	0.581	12	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)2(BC[6a]3){1|C<3>,2|H<1>}	120.8780	0.128	6	120.8780	0.016	6	120.1809	0.581	12	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	117.3330	0.000	1	117.3330	0.000	1	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	118.0250	0.409	4	118.0250	0.167	4	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CGeHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CGeHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	117.4530	0.000	1	117.4530	0.000	1	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	120.0595	0.317	6	120.0595	0.101	6	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	122.2855	0.086	2	122.2855	0.007	2	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	120.2220	0.175	2	120.2220	0.031	2	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CC[6a]CH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]C)2(CC[6a]CH){1|C<3>,2|H<1>}	120.0240	0.655	2	120.0240	0.429	2	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]C)2(CC[6a]HH){1|C<3>,2|H<1>}	120.0853	0.414	6	120.0853	0.172	6	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	118.2210	0.184	2	118.2210	0.034	2	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<2>,1|C<3>,1|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	120.8970	0.000	1	120.8970	0.000	1	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	120.2504	0.367	14	120.2504	0.135	14	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	119.0175	0.790	8	119.0175	0.623	8	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	120.2060	0.000	1	120.2060	0.000	1	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	118.0814	0.421	5	117.9036	0.226	7	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	117.4590	0.308	2	117.9036	0.226	7	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[5]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	120.6130	0.000	1	120.6130	0.000	1	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	118.4247	0.822	6	118.3367	0.618	7	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	117.8090	0.000	1	118.3367	0.618	7	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	118.3770	0.000	1	118.3770	0.000	1	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	118.7004	0.381	16	118.7004	0.146	16	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	118.8445	0.606	8	118.8445	0.367	8	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	119.0450	0.079	2	119.0450	0.006	2	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	118.8470	0.460	2	118.8470	0.211	2	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	120.2253	0.404	9	120.2253	0.163	9	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	119.8250	0.130	4	119.7447	0.242	8	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	118.7500	0.000	1	119.7447	0.242	8	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	119.9693	0.489	3	119.7447	0.242	8	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	120.3112	0.274	6	120.3112	0.075	6	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CPtCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CPtCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	115.3390	0.000	1	115.3390	0.000	1	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CRuCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]RuC)	C[6](C[6]C[6]H)(N[6]C[6]C)(CRuCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]RuC){1|C<3>,2|H<1>}	119.8470	0.000	1	119.8470	0.000	1	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	118.3730	0.194	2	118.3730	0.038	2	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CSiHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CSiHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	117.2990	0.000	1	117.2990	0.000	1	119.3075	1.242	122	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(PC[6a]2F)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(PC[6a]2F){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	120.0020	0.000	1	120.0020	0.000	1	120.0020	0.000	1	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|H<1>}	118.7285	0.807	4	118.7285	0.652	4	118.7285	0.652	4	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	119.6790	0.000	1	119.6790	0.000	1	119.6790	0.000	1	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(GaC3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)2(GaC3){1|C<3>,2|H<1>}	121.8590	0.331	2	121.8590	0.110	2	121.8590	0.110	2	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-4:	C[6](N[6]C[6]In)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(InCCO)	C[6](N[6]C[6]In)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|In<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(InCCO){1|C<3>,2|H<1>}	120.6790	0.000	1	120.6790	0.000	1	121.0050	0.213	2	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-4:	C[6](N[6]C[6]In)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(InN3)	C[6](N[6]C[6]In)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|In<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(InN3){1|C<3>,2|H<1>}	121.3310	0.000	1	121.3310	0.000	1	121.0050	0.213	2	119.4026	1.344	146	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:5:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-5:	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BCuH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BCuH3){1|C<3>,2|H<1>}	119.1517	0.069	3	119.1517	0.005	3	119.1517	0.005	3	119.5358	0.593	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:5:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:B-5:	C[6](N[6]C[6,6]B)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(BRhH3)	C[6](N[6]C[6,6]B)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|B<5>,2|C<3>}	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(BRhH3){1|H<1>,3|C<3>}	120.6880	0.000	1	120.6880	0.000	1	120.6880	0.000	1	119.5358	0.593	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:S[6]-4:C[6]-3:	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	N[6](C[6a]C[6a,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHO){2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C){1|N<2>,2|H<1>,4|C<3>}	121.4620	0.141	2	121.4620	0.020	2	121.0760	0.380	4	119.5640	1.814	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:S[6]-4:C[6]-3:	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHP)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	N[6](C[6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CHHP){2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](C[6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	120.6900	0.724	2	120.6900	0.524	2	121.0760	0.380	4	119.5640	1.814	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	118.3925	0.111	2	118.3925	0.012	2	118.8915	1.013	11	119.5640	1.814	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	117.9398	0.483	4	117.9398	0.233	4	118.8915	1.013	11	119.5640	1.814	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|N<3>,2|F<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H){1|B<4>,4|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){3|H<1>,4|C<3>}	119.6240	0.000	1	119.6240	0.000	1	118.8915	1.013	11	119.5640	1.814	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	120.2285	0.284	2	120.2285	0.080	2	118.8915	1.013	11	119.5640	1.814	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6a]C[6a]2)(B[6]N[6]II)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]II)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	119.5910	0.348	2	119.5910	0.121	2	118.8915	1.013	11	119.5640	1.814	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:S[6]-4:C[6]-3:	C[6](N[6]C[6a]S[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6a]C[6a]2)(S[6]C[6]OO)(C[6]C[6]C)	C[6](N[6]C[6a]S[6])(C[6]C[6]H)(CH3){1|C<4>,2|O<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|S<4>}	N[6](C[6a]C[6a]2)(S[6]C[6]OO)(C[6]C[6]C){3|C<3>,4|H<1>}	120.9130	0.000	1	120.9130	0.000	1	120.9130	0.000	1	119.5640	1.814	16	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(N[6]B[6]H)(CH3)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]C)(H)	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(N[6]B[6]H)(CH3){1|N<3>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]C)(H){1|B<4>,2|C<3>,2|H<1>}	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)(H){1|H<1>,6|C<3>}	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	118.7392	1.106	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]N[6]C)(C[6]O[6]O)(H)	N[6](C[6]C[6a]O[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)(C[6]O[6]O)(H){1|C<4>,1|H<1>}	N[6](C[6]C[6a]O[6]C)(C[6]C[6]C)(H){1|H<1>,3|C<3>}	118.0050	0.000	1	118.0050	0.000	1	118.4930	0.928	5	118.7392	1.106	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]CeO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Ce<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]CeO)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	117.4000	0.000	1	117.7645	0.266	2	118.4930	0.928	5	118.7392	1.106	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]CeO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Ce<13>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]CeO)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	118.1290	0.000	1	117.7645	0.266	2	118.4930	0.928	5	118.7392	1.106	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)2(H){1|C<4>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.4655	0.504	2	119.4655	0.254	2	118.4930	0.928	5	118.7392	1.106	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(CB[5]HH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(CB[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>,4|C<3>}	119.2910	0.000	1	119.2910	0.000	1	119.2910	0.000	1	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	B[5a,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	N[6](B[5a,6]N[5a,6]O[5a]F)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){1|B<4>,2|C<3>}	N[6](B[5a,6]N[5a,6]O[5a]F)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,5|C<3>}	120.7160	0.000	1	120.7160	0.000	1	120.3617	0.094	3	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	B[5a,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	N[6](B[5a,6]N[5a,6]O[5a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){1|B<4>,2|C<3>}	N[6](B[5a,6]N[5a,6]O[5a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,2|H<1>,5|C<3>}	120.1845	0.023	2	120.1845	0.001	2	120.3617	0.094	3	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H)	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	117.7825	0.210	2	117.7825	0.044	2	118.7885	1.365	4	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](B[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){2|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	N[6](B[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	119.8200	0.000	1	119.8200	0.000	1	118.7885	1.365	4	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	119.7690	0.000	1	119.7690	0.000	1	118.7885	1.365	4	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[3]-4:C[6]-3:C[6]-3:	C[6](N[6]C[3]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	N[6](C[3]C[3]2H)(C[6]C[6]C)2	C[6](N[6]C[3]C[6])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[3]C[3]2H)(C[6]C[6]C)2{1|C<3>,1|O<2>,5|H<1>}	119.7513	0.255	3	119.7513	0.065	3	119.7513	0.065	3	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CFFH)	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CFFH){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H){1|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,5|C<3>}	119.2910	0.000	1	119.2910	0.000	1	120.0003	3.126	3	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,4|H<1>,5|C<3>}	122.0130	0.000	1	122.0130	0.000	1	120.0003	3.126	3	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Cr<6>,1|C<3>,1|C<4>}	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|Cr<6>,1|H<1>,1|N<3>,2|C<4>,4|C<3>}	118.6970	0.000	1	118.6970	0.000	1	120.0003	3.126	3	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga-4:C[6]-3:C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	120.0430	0.000	1	120.0430	0.000	1	120.0430	0.000	1	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[4,4,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Ga[4,4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[4,4,6]P[4x4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[4,4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[4,4,6]P[4x4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	123.6530	0.254	8	123.6530	0.065	8	123.6530	0.065	8	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[4,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3){2|As<2>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|As<3>,1|H<1>,2|C<4>,4|C<3>}	123.5020	0.600	2	123.5020	0.360	2	123.8290	0.267	4	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[4,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[4,6]N[6]S[4]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[4,6]N[6]S[4]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Ga<4>,1|H<1>,2|C<4>,4|C<3>}	124.1560	0.112	2	124.1560	0.012	2	123.8290	0.267	4	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[5,5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[5,5,6]P[3,5,5]P[3x5,6]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[5,5,6]P[3,5,5]P[3x5,6]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>,4|P<3>}	123.9790	0.208	4	123.9790	0.043	4	123.9684	0.087	8	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[5,5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[5,5,6]P[3,5,5]P[3x5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[5,5,6]P[3,5,5]P[3x5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>,4|P<3>}	123.9578	0.401	4	123.9578	0.160	4	123.9684	0.087	8	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[5,6]N[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|N<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[5,6]N[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|Si<4>,1|H<1>,2|C<4>,2|N<2>,4|C<3>}	122.9250	0.991	2	122.9250	0.983	2	123.7219	0.466	8	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,1|P<4>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Co<6>,1|H<1>,2|C<4>,3|P<3>,4|C<3>}	124.1462	0.107	4	123.9875	0.118	6	123.7219	0.466	8	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Co<6>,1|H<1>,2|C<4>,2|P<3>,4|C<3>}	123.6700	0.502	2	123.9875	0.118	6	123.7219	0.466	8	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<3>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	120.2640	0.204	2	120.1560	0.045	4	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<4>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	120.0480	0.218	2	120.1560	0.045	4	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|As<3>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|As<2>,1|H<1>,3|C<4>,6|C<3>}	123.5105	0.387	2	123.5105	0.150	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	123.5785	0.063	2	123.5785	0.004	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|P<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	123.5645	0.302	2	123.5645	0.091	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]BiC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Bi<3>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]BiC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.7255	1.013	2	123.7255	1.027	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.5085	0.412	8	123.5085	0.170	8	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.7520	0.109	2	123.7520	0.012	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.2035	0.104	2	123.2035	0.011	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]ClCo)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Co<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]ClCo)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.8535	0.245	2	123.8535	0.060	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.6720	0.238	2	123.6720	0.056	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]ClRh)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Rh<9>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]ClRh)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	124.5490	0.177	2	124.5490	0.031	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]ClSb)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Sb<3>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]ClSb)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.5248	0.398	6	123.5248	0.158	6	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.9210	0.000	1	122.9210	0.000	1	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]ClSn)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Sn<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]ClSn)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	124.1753	0.263	4	124.1753	0.069	4	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.7238	0.335	6	123.7238	0.112	6	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.8735	0.428	2	123.8735	0.183	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|In<3>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.6308	0.860	4	123.7118	0.524	6	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|In<4>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.8740	0.569	2	123.7118	0.524	6	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.7435	0.187	2	123.7435	0.035	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.2610	0.132	2	123.2610	0.017	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]Ni2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Ni<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]Ni2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.4700	1.208	2	123.4700	1.459	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.9490	0.276	2	123.9490	0.076	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]P[6]I)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|I<1>,1|N<3>,1|P<4>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]P[6]I)(C[6a]C[6a]2)(C[6]C[6]C){1|Fe<11>,1|H<1>,4|C<3>,4|C<4>}	123.5420	0.378	2	123.5420	0.143	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]RhO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Rh<9>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]RhO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.6430	0.448	2	123.6430	0.201	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]Te2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Te<2>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]Te2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.0620	0.658	2	123.4725	0.416	4	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]Te2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Te<3>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]Te2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.8830	0.375	2	123.4725	0.416	4	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]TeC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Te<2>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]TeC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.7260	0.000	1	123.7260	0.000	1	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]N[6]ZnC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Zn<2>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]N[6]ZnC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.3252	0.617	4	123.3252	0.380	4	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	123.8105	1.800	2	123.8105	3.239	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,1|P<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	123.9310	1.004	2	123.9310	1.008	2	123.4782	0.858	80	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[4,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[4,6]N[6]P[4]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<2>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[4,6]N[6]P[4]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Ge<4>,1|H<1>,2|C<4>,4|C<3>}	123.5440	0.117	2	123.5440	0.014	2	123.5440	0.014	2	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	122.9905	0.165	2	122.9905	0.027	2	123.0539	0.154	35	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]N[6]AgC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Ag<2>,1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[6]N[6]AgC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.2205	0.445	2	123.2205	0.198	2	123.0539	0.154	35	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]N[6]CS)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[6]N[6]CS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.9000	0.493	4	122.9000	0.243	4	123.0539	0.154	35	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]N[6]ClS)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[6]N[6]ClS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.2800	0.165	4	123.2800	0.027	4	123.0539	0.154	35	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]N[6]ClSe)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Se<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[6]N[6]ClSe)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.7140	0.294	2	122.7140	0.087	2	123.0539	0.154	35	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]N[6]ClW)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|W<6>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[6]N[6]ClW)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,4|C<3>}	122.5410	0.110	2	122.5410	0.012	2	123.0539	0.154	35	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]N[6]FS)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[6]N[6]FS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.3400	0.276	4	123.3400	0.076	4	123.0539	0.154	35	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]N[6]FeO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Fe<5>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[6]N[6]FeO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.8315	0.292	2	122.8315	0.085	2	123.0539	0.154	35	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]N[6]MnO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Mn<8>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[6]N[6]MnO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.6195	0.127	2	122.6195	0.016	2	123.0539	0.154	35	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<2>,2|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.5190	0.000	1	122.5190	0.000	1	123.0539	0.154	35	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.1737	0.306	4	123.1737	0.093	4	123.0539	0.154	35	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]N[6]SeP)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Se<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	N[6](Ge[6]N[6]SeP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.2930	0.422	6	123.2930	0.178	6	123.0539	0.154	35	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	In[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](In[6]In[6]N[6]Br)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Br<1>,1|In<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	N[6](In[6]In[6]N[6]Br)(C[6a]C[6a]2)(C[6]C[6]C){1|Br<1>,1|H<1>,2|C<4>,2|N<3>,4|C<3>}	124.8695	0.609	2	124.8695	0.371	2	124.7270	0.225	21	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	In[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](In[6]N[6]BiC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Bi<3>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	N[6](In[6]N[6]BiC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	124.7885	0.586	2	124.7885	0.344	2	124.7270	0.225	21	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	In[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](In[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	N[6](In[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	124.5605	0.054	2	124.5605	0.003	2	124.7270	0.225	21	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	In[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](In[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	N[6](In[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	124.4030	0.106	2	124.4030	0.011	2	124.7270	0.225	21	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	In[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](In[6]N[6]CI)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|I<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	N[6](In[6]N[6]CI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	124.8750	0.000	1	124.8750	0.000	1	124.7270	0.225	21	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	In[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](In[6]N[6]FeI)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Fe<8>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	N[6](In[6]N[6]FeI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	124.5917	0.714	6	124.5917	0.510	6	124.7270	0.225	21	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	In[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](In[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	N[6](In[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	125.0340	0.042	2	124.8660	0.063	4	124.7270	0.225	21	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	In[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](In[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	N[6](In[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,4|C<3>}	124.6980	0.273	2	124.8660	0.063	4	124.7270	0.225	21	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	In[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](In[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[6]N[6]C)2(H){1|In<4>,1|C<3>,1|C<4>}	N[6](In[6]N[6]SS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,3|C<3>,3|C<4>}	125.0675	0.520	2	125.0675	0.270	2	124.7270	0.225	21	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Nb<4>,2|C<3>}	N[6](Nb[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.1545	0.882	2	122.6754	1.438	7	122.6754	1.438	7	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6](C[6]N[6]C)2(H){1|Nb<4>,1|C<3>,1|C<4>}	N[6](Nb[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,3|C<3>,3|C<4>}	120.6130	0.000	1	122.6754	1.438	7	122.6754	1.438	7	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6](C[6]N[6]C)2(H){1|Nb<4>,2|C<3>}	N[6](Nb[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.4515	0.463	4	122.6754	1.438	7	122.6754	1.438	7	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	121.8420	0.000	1	121.8420	0.000	1	121.6386	0.160	5	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){2|N<3>,4|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	121.1210	0.000	1	121.1210	0.000	1	121.6386	0.160	5	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,5|H<1>,6|C<3>}	121.9470	0.000	1	121.9470	0.000	1	121.6386	0.160	5	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|O<2>,2|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,7|C<3>}	121.2970	0.000	1	121.2970	0.000	1	121.6386	0.160	5	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|O<2>,2|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	121.9860	0.000	1	121.9860	0.000	1	121.6386	0.160	5	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|H<1>,4|C<4>,5|C<3>}	120.9760	0.000	1	120.9760	0.000	1	120.9760	0.000	1	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	N[6](Si[6]C[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Br<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Si<4>,1|C<3>,1|H<1>}	N[6](Si[6]C[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	122.6995	0.209	2	122.6995	0.044	2	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]C[6a]N[6]F)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|F<1>,1|N<3>,4|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]C[6a]N[6]F)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	122.2990	0.000	1	122.2990	0.000	1	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	122.3760	0.000	1	122.3760	0.000	1	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]C[6a]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|N<3>,4|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]C[6a]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	121.7740	0.499	2	121.7740	0.249	2	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|O<1>,2|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	120.1390	0.000	1	120.6815	0.589	2	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|O<2>,2|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	121.2240	0.000	1	120.6815	0.589	2	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|P<3>,2|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	120.6380	0.000	1	120.6380	0.000	1	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Br<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.8875	0.240	2	121.8875	0.057	2	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<1>,1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.6000	0.000	1	119.6000	0.000	1	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]BrN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<1>,2|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]BrN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.8250	0.062	2	121.8250	0.004	2	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]CH)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]CH)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.1650	0.025	2	121.1650	0.001	2	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.3650	0.000	1	121.3650	0.000	1	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	120.4940	0.000	1	120.4940	0.000	1	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]ClP)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,1|P<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]ClP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.5790	0.000	1	121.5790	0.000	1	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.3560	0.000	1	121.3560	0.000	1	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	119.5590	0.075	2	119.5590	0.006	2	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.4250	0.262	3	121.4250	0.069	3	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){3|C<3>,3|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.0040	0.000	1	122.0040	0.000	1	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]NiN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]NiN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.7107	0.075	3	121.7107	0.006	3	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]NiO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]NiO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.6140	0.293	2	121.6140	0.086	2	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]NiS)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]NiS)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.7510	0.061	2	121.7510	0.004	2	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]PP)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|N<3>,2|P<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]PP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.2790	0.000	1	121.2790	0.000	1	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]SeO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Se<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]SeO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	122.1515	0.054	2	121.8340	0.138	4	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]SeO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Se<2>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]SeO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.5165	0.086	2	121.8340	0.138	4	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]SiO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Si<4>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	N[6](Si[6]N[6]SiO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.2360	0.000	1	121.2360	0.000	1	121.4585	0.582	39	122.9063	2.163	233	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(CHHS)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]C)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]C)(SCOO)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(CHHS){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]C)(H){1|C<4>,1|S<4>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]C)(SCOO){1|H<1>,2|C<3>}	118.8660	0.000	1	118.8660	0.000	1	118.8660	0.000	1	122.4016	4.733	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]S[6]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]H)(N[6]S[6]C)(CCHH){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|H<1>,2|C<3>}	119.7870	0.000	1	119.7870	0.000	1	119.7870	0.000	1	122.4016	4.733	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](B[6]N[6]FF)(C[6]C[6]C)(CCCH)	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3){1|C<4>,1|N<3>,2|F<1>}	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<4>}	N[6](B[6]N[6]FF)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	121.6610	0.000	1	121.6610	0.000	1	120.8590	1.286	2	122.4016	4.733	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](B[6]N[6]FF)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3){1|C<4>,1|N<3>,2|F<1>}	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<4>}	N[6](B[6]N[6]FF)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	120.0570	0.000	1	120.0570	0.000	1	120.8590	1.286	2	122.4016	4.733	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|S<4>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	117.1440	0.000	1	117.1440	0.000	1	117.1440	0.000	1	122.4016	4.733	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6]-3:C-4:	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	N[6](Ga[6]O[6]Cl2)(C[6]C[6]C)(CCCH)	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|O<2>}	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<4>,1|C<4>}	N[6](Ga[6]O[6]Cl2)(C[6]C[6]C)(CCCH){1|C<3>,1|H<1>}	123.9330	0.000	1	123.9330	0.000	1	123.6410	0.171	2	122.4016	4.733	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6]-3:C-4:	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	N[6](Ga[6]O[6]NN)(C[6]C[6]C)(CCCH)	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<3>}	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<4>,1|C<4>}	N[6](Ga[6]O[6]NN)(C[6]C[6]C)(CCCH){1|C<3>,1|H<1>}	123.3490	0.000	1	123.3490	0.000	1	123.6410	0.171	2	122.4016	4.733	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6]-3:C-4:	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]N[6]ClCu)(C[6]C[6]C)(CCCH)	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3){1|Cl<1>,1|Cu<3>,1|C<4>,1|N<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<4>}	N[6](Ge[6]N[6]ClCu)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	122.5850	1.517	2	122.5850	2.303	2	123.2888	0.727	9	122.4016	4.733	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6]-3:C-4:	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]N[6]CuC)(C[6]C[6]C)(CCCH)	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3){1|Cu<3>,1|N<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<4>}	N[6](Ge[6]N[6]CuC)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	123.6198	0.682	5	123.6198	0.466	5	123.2888	0.727	9	122.4016	4.733	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ge[6]-4:C[6]-3:C-4:	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ge[6]N[6]CuH)(C[6]C[6]C)(CCCH)	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3){1|Cu<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<4>}	N[6](Ge[6]N[6]CuH)(C[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|H<1>}	123.1650	0.281	2	123.1650	0.079	2	123.2888	0.727	9	122.4016	4.733	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	In[6]-4:C[6]-3:C-4:	C[6](N[6]In[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](In[6]N[6]SS)(C[6]C[6]C)(CCHH)	C[6](N[6]In[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|S<2>}	C[6](C[6]N[6]C)2(H){1|In<4>,1|C<3>,1|C<4>}	N[6](In[6]N[6]SS)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	125.0665	0.357	2	125.0665	0.128	2	125.0665	0.128	2	122.4016	4.733	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-4:C[6]-3:C-4:	C[6](N[6]Nb[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]NN)(C[6]C[6]C)(CC3)	C[6](N[6]Nb[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>}	C[6](C[6]N[6]C)2(H){1|Nb<4>,1|C<3>,1|C<4>}	N[6](Nb[6]N[6]NN)(C[6]C[6]C)(CC3){1|H<1>,2|C<3>}	121.1010	0.000	1	121.1010	0.000	1	121.1010	0.000	1	122.4016	4.733	19	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	B[3,3,5,3x6]-5:C[6]-3:C[6]-3:	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(CH3){1|B<5>,1|C<3>,2|B<6>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<2>,1|S<4>,3|B<6>,5|H<1>}	119.3950	0.000	1	119.3950	0.000	1	119.3950	0.000	1	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CH3){1|Rh<8>,1|C<3>,2|H<1>,3|B<6>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,4|B<6>,5|H<1>}	119.1840	0.000	1	119.1840	0.000	1	119.1840	0.000	1	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[3,3,6]-5:C[6a]-3:C[6]-3:	C[6](N[6]Ga[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Ga[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Ga<5>,1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6]N[6]C)2(H){1|Ga<5>,2|C<3>}	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	124.1605	0.728	2	124.1605	0.529	2	124.1605	0.529	2	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6]-5:C[6]-3:C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](Ga[6]N[6,6]2Cl2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(CC[6a]HH){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<5>,1|C<3>,1|H<1>}	N[6](Ga[6]N[6,6]2Cl2)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,5|C<3>}	121.4590	0.000	1	121.4590	0.000	1	121.4590	0.000	1	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[3,6]-5:C[6a]-3:C[6]-3:	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[3,6]C[3]N[3]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	N[6](Nb[3,6]C[3]N[3]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,4|C<4>,5|C<3>}	123.3825	1.800	2	123.3825	3.239	2	123.3825	3.239	2	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[4,6]-5:C[6a]-3:C[6]-3:	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H)	N[6](Nb[4,6]N[4,6]C[4]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H){1|Nb<5>,1|C<3>,1|C<4>}	N[6](Nb[4,6]N[4,6]C[4]NN)(C[6a]C[6a]2)(C[6]C[6]C){3|C<3>,3|C<4>,3|H<1>}	123.7080	0.000	1	123.6220	0.015	2	123.6220	0.015	2	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[4,6]-5:C[6a]-3:C[6]-3:	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H)	N[6](Nb[4,6]N[4,6]C[4]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,2|N<2>}	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H){1|Nb<5>,1|C<3>,1|C<4>}	N[6](Nb[4,6]N[4,6]C[4]NN)(C[6a]C[6a]2)(C[6]C[6]C){3|C<3>,3|C<4>,3|H<1>}	123.5360	0.000	1	123.6220	0.015	2	123.6220	0.015	2	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6,6]-5:C[6a]-3:C[6]-3:	C[6](N[6]Nb[6,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6]C)(C[6]N[6]C)(H)	N[6](Nb[6,6]N[6,6]C[6]NO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[6,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]N[6,6]C)(C[6]N[6]C)(H){1|Nb<5>,2|C<3>}	N[6](Nb[6,6]N[6,6]C[6]NO)(C[6a]C[6a]2)(C[6]C[6]C){3|C<4>,3|H<1>,4|C<3>}	124.7465	0.940	2	124.7465	0.883	2	124.7465	0.883	2	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]C[6a]N[6]FN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	N[6](Nb[6]C[6a]N[6]FN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	123.6528	0.916	6	123.6528	0.840	6	124.0192	0.364	36	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]C[6a]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	N[6](Nb[6]C[6a]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	123.7655	0.227	4	123.7655	0.052	4	124.0192	0.364	36	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]2NO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	N[6](Nb[6]N[6]2NO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	124.0000	0.799	2	124.0000	0.638	2	124.0192	0.364	36	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]CCN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	N[6](Nb[6]N[6]CCN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	124.2535	1.018	4	124.2535	1.036	4	124.0192	0.364	36	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]CNN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	N[6](Nb[6]N[6]CNN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	124.5905	0.383	2	124.4285	0.086	6	124.0192	0.364	36	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]CNN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	N[6](Nb[6]N[6]CNN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	124.3475	0.263	4	124.4285	0.086	6	124.0192	0.364	36	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]Cl2N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	N[6](Nb[6]N[6]Cl2N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	124.2755	0.035	2	124.2755	0.001	2	124.0192	0.364	36	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]HNN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	N[6](Nb[6]N[6]HNN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.7125	0.025	2	123.7125	0.001	2	124.0192	0.364	36	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]NNO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	N[6](Nb[6]N[6]NNO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	124.0515	0.512	6	124.0515	0.262	6	124.0192	0.364	36	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]NOO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	N[6](Nb[6]N[6]NOO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.7300	0.205	2	123.7300	0.042	2	124.0192	0.364	36	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-5:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]O[5]2N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<3>}	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	N[6](Nb[6]N[6]O[5]2N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,4|C<3>,6|C<4>}	124.1910	0.040	2	124.1910	0.002	2	124.0192	0.364	36	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[3,6]-5:C[6a]-3:C[6]-3:	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|O<2>,4|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<5>,2|C<3>}	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	122.0630	0.000	1	122.0630	0.000	1	122.0630	0.000	1	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[5,6]-5:C[6a]-3:C[6]-3:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[5,6]N[5]N[6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<5>,2|C<3>}	N[6](Si[5,6]N[5]N[6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	122.5445	2.761	2	122.5445	7.625	2	122.5445	7.625	2	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6]-5:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Si[6]N[6]BrLiN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<2>,1|Li<5>,1|N<3>,1|N<4>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<5>,2|C<3>}	N[6](Si[6]N[6]BrLiN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	120.8000	0.000	1	120.8000	0.000	1	120.8000	0.000	1	123.6177	1.778	51	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6,6]-5:C[6]-3:C-4:	C[6](N[6]Ga[6,6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCCH)	C[6](N[6]Ga[6,6]C)(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|O<2>}	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<5>,1|C<4>}	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCCH){1|C<4>,1|H<1>,3|C<3>}	122.6640	0.000	1	122.6640	0.000	1	122.3217	0.096	3	122.3217	0.096	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	5:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[6,6]-5:C[6]-3:C-4:	C[6](N[6]Ga[6,6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCHH)	C[6](N[6]Ga[6,6]C)(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|O<2>}	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<5>,1|C<4>}	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,3|C<3>}	122.1505	0.127	2	122.1505	0.016	2	122.3217	0.096	3	122.3217	0.096	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[3,3,6]-6:C[6a]-3:C[6]-3:	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[3,3,6]C[3,3]N[3]N[6]O[3]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	N[6](Nb[3,3,6]C[3,3]N[3]N[6]O[3]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	123.3275	0.896	2	123.4226	1.698	10	123.6302	1.296	14	123.8576	1.319	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[3,3,6]-6:C[6a]-3:C[6]-3:	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[3,3,6]C[3,3]N[3]N[6]O[3]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	N[6](Nb[3,3,6]C[3,3]N[3]N[6]O[3]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	123.0832	1.974	4	123.4226	1.698	10	123.6302	1.296	14	123.8576	1.319	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[3,3,6]-6:C[6a]-3:C[6]-3:	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[3,3,6]C[3,3]N[3]N[6]O[3]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	N[6](Nb[3,3,6]C[3,3]N[3]N[6]O[3]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,3|C<4>,5|C<3>}	123.8095	0.756	4	123.4226	1.698	10	123.6302	1.296	14	123.8576	1.319	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[3,3,6]-6:C[6a]-3:C[6]-3:	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[3,3,6]Nb[3,3,6]N[6]S[3]2N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	N[6](Nb[3,3,6]Nb[3,3,6]N[6]S[3]2N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,2|N<3>,4|C<3>}	124.2525	0.129	2	124.2525	0.017	2	123.6302	1.296	14	123.8576	1.319	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[3,3,6]-6:C[6a]-3:C[6]-3:	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[3,3,6]Nb[3,3]N[6]O[3]2N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	N[6](Nb[3,3,6]Nb[3,3]N[6]O[3]2N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,2|N<3>,4|C<3>}	124.0460	0.028	2	124.0460	0.001	2	123.6302	1.296	14	123.8576	1.319	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[3,6]-6:C[6a]-3:C[6]-3:	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[3,6]B[3,5]N[3]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	N[6](Nb[3,6]B[3,5]N[3]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	124.2720	0.503	2	124.2720	0.253	2	124.2650	0.727	10	123.8576	1.319	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[3,6]-6:C[6a]-3:C[6]-3:	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[3,6]C[3]2N[6]CN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	N[6](Nb[3,6]C[3]2N[6]CN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	124.3705	0.933	2	124.2782	0.864	4	124.2650	0.727	10	123.8576	1.319	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[3,6]-6:C[6a]-3:C[6]-3:	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[3,6]C[3]2N[6]CN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	N[6](Nb[3,6]C[3]2N[6]CN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,3|C<4>,5|C<3>}	124.1860	1.300	2	124.2782	0.864	4	124.2650	0.727	10	123.8576	1.319	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[3,6]-6:C[6a]-3:C[6]-3:	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[3,6]C[3]N[3]N[6]CN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,2|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	N[6](Nb[3,6]C[3]N[3]N[6]CN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,4|C<3>,4|C<4>}	124.2482	1.109	4	124.2482	1.231	4	124.2650	0.727	10	123.8576	1.319	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-6:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]2CCN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	N[6](Nb[6]N[6]2CCN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	123.5595	0.192	2	123.5595	0.037	2	124.3397	1.311	6	123.8576	1.319	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-6:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]C3N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|C<2>}	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	N[6](Nb[6]N[6]C3N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	125.7880	0.308	2	125.7880	0.095	2	124.3397	1.311	6	123.8576	1.319	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[6]-6:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[6]N[6]LiCCN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|Li<5>,1|C<2>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	N[6](Nb[6]N[6]LiCCN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	123.6715	0.342	2	123.6715	0.117	2	124.3397	1.311	6	123.8576	1.319	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6,6]-6:C[6a]-3:C[6]-3:	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>,2|O<2>}	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Si<6>,1|C<3>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	121.9665	0.052	2	121.9665	0.003	2	121.9665	0.003	2	123.8576	1.319	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Ga[3x6]-6:C[6]-3:C-4:	C[6](N[6]Ga[3x6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	N[6](Ga[3x6]N[6]2O[6]3)(C[6]C[6]C)(CCHH)	C[6](N[6]Ga[3x6]C)(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|O<2>}	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<6>,1|C<4>}	N[6](Ga[3x6]N[6]2O[6]3)(C[6]C[6]C)(CCHH){1|H<1>,2|C<4>,5|C<3>}	122.6857	0.424	3	122.6857	0.180	3	122.6857	0.180	3	122.0482	0.582	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6,6]-6:C[6]-3:C-4:	C[6](N[6]Si[6,6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH)	C[6](N[6]Si[6,6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>,2|O<2>}	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Si<6>,1|C<4>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CCCH){1|C<4>,1|H<1>,3|C<3>}	121.2310	0.000	1	121.2310	0.000	1	121.4107	0.055	3	122.0482	0.582	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	6:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Si[6,6]-6:C[6]-3:C-4:	C[6](N[6]Si[6,6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH)	C[6](N[6]Si[6,6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>,2|O<2>}	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Si<6>,1|C<4>}	N[6](Si[6,6]N[6]O[6]2NN)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	121.5005	0.250	2	121.5005	0.062	2	121.4107	0.055	3	122.0482	0.582	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	7:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[3,3,6]-7:C[6]-3:H-1:	C[6](N[6]Nb[3,3,6]H)(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[3,3,6]N[3,5]4N[6]Cl)(C[6]C[6]C)(H)	C[6](N[6]Nb[3,3,6]H)(C[6]C[6]H)(CC3){1|Cl<1>,1|C<4>,1|N<2>,4|N<3>}	C[6](C[6]N[6]C)2(H){1|Nb<7>,1|H<1>}	N[6](Nb[3,3,6]N[3,5]4N[6]Cl)(C[6]C[6]C)(H){1|H<1>,5|C<3>}	121.6040	0.000	1	121.6040	0.000	1	121.6040	0.000	1	121.6040	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	7:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[3,3,6,6]-7:C[6a]-3:C[6]-3:	C[6](N[6]Nb[3,3,6,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[3,3,6,6]C[3,3,6]N[6]O[3]2O[6]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[3,3,6,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|O<2>}	C[6](C[6]N[6]C)2(H){1|Nb<7>,2|C<3>}	N[6](Nb[3,3,6,6]C[3,3,6]N[6]O[3]2O[6]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	123.4595	0.111	4	123.4595	0.012	4	123.4595	0.012	4	123.8156	0.547	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	7:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[3,6]-7:C[6a]-3:C[6]-3:	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[3,6]C[3]N[3]N[6]F3)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|C<3>,3|F<1>}	C[6](C[6]N[6]C)2(H){1|Nb<7>,2|C<3>}	N[6](Nb[3,6]C[3]N[3]N[6]F3)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,3|C<4>,5|C<3>}	124.1325	1.149	4	124.1325	1.321	4	124.1325	1.321	4	123.8156	0.547	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	7:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[3x3,5,6]-7:C[6a]-3:C[6]-3:	C[6](N[6]Nb[3x3,5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[3x3,5,6]C[3,3,6]2C[3,5,6]2N[6]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[3x3,5,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,5|C<4>}	C[6](C[6]N[6]C)2(H){1|Nb<7>,2|C<3>}	N[6](Nb[3x3,5,6]C[3,3,6]2C[3,5,6]2N[6]N)(C[6a]C[6a]2)(C[6]C[6]C){4|C<3>,4|C<4>,5|H<1>}	123.8940	0.023	2	123.8940	0.001	2	123.8940	0.001	2	123.8156	0.547	10	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	8:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[5x3,6]-8:C[6a]-3:C[6]-3:	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[5x3,6]C[3,3,5]5N[6]N)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,6|C<4>}	C[6](C[6]N[6]C)2(H){1|Nb<8>,2|C<3>}	N[6](Nb[5x3,6]C[3,3,5]5N[6]N)(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,4|C<3>,6|H<1>}	124.1385	0.411	4	124.1385	0.169	4	124.1385	0.169	4	124.1385	0.169	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	9:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	Nb[5x3,6]-9:C[6a]-3:C[6]-3:	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H)	N[6](Nb[5x3,6]C[3,3,5]5N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>,6|C<4>}	C[6](C[6]N[6]C)2(H){1|Nb<9>,2|C<3>}	N[6](Nb[5x3,6]C[3,3,5]5N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,4|C<3>,6|H<1>}	124.3235	0.143	4	124.3235	0.020	4	124.3235	0.020	4	124.3235	0.020	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[5,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(N[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]C)(OH)	N[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]N[6]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	118.4990	0.000	1	118.4990	0.000	1	118.4990	0.000	1	118.3753	0.203	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C[6](C[6]N[6]C)(C[6]N[6]O)(CN)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(CN){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<2>,1|C<3>,1|H<1>}	118.3700	0.000	1	118.3700	0.000	1	118.3700	0.000	1	118.3753	0.203	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	118.2059	0.405	8	118.2059	0.164	8	118.3772	0.223	29	118.3753	0.203	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[5]C[6])(C[6]N[6]C)(OH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.3460	0.000	1	118.3460	0.000	1	118.3772	0.223	29	118.3753	0.203	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(OCo)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OCo){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.5710	0.000	1	118.5710	0.000	1	118.3772	0.223	29	118.3753	0.203	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(OCu)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OCu){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.6620	0.000	1	118.6620	0.000	1	118.3772	0.223	29	118.3753	0.203	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.8327	0.542	3	118.8327	0.294	3	118.3772	0.223	29	118.3753	0.203	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(OH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.3075	0.510	10	118.2825	0.225	12	118.3772	0.223	29	118.3753	0.203	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(OH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.1575	0.320	2	118.2825	0.225	12	118.3772	0.223	29	118.3753	0.203	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(ONi)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(ONi){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.0700	0.000	1	118.0700	0.000	1	118.3772	0.223	29	118.3753	0.203	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	118.4620	0.000	1	118.4620	0.000	1	118.3772	0.223	29	118.3753	0.203	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	119.2940	0.000	1	119.2940	0.000	1	118.3772	0.223	29	118.3753	0.203	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	118.2020	0.000	1	118.2020	0.000	1	118.2020	0.000	1	118.3753	0.203	32	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]C)(OH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	118.8703	0.149	3	118.8703	0.022	3	119.4772	0.491	20	119.4772	0.491	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]C)(OZn)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]C)(OZn){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	119.2700	0.000	1	119.2700	0.000	1	119.4772	0.491	20	119.4772	0.491	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(OFe)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	118.9890	0.000	1	118.9890	0.000	1	119.4772	0.491	20	119.4772	0.491	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(OIr)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]N[6]C)(OIr){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	119.7320	0.000	1	119.7320	0.000	1	119.4772	0.491	20	119.4772	0.491	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(ONi)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]N[6]C)(ONi){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	119.2740	0.086	2	119.2740	0.007	2	119.4772	0.491	20	119.4772	0.491	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(OPb)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]N[6]C)(OPb){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	121.3210	0.000	1	121.3210	0.000	1	119.4772	0.491	20	119.4772	0.491	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(ORh)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]N[6]C)(ORh){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	119.8945	0.364	2	119.8945	0.133	2	119.4772	0.491	20	119.4772	0.491	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(ORh)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]N[6]C)(ORh){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	119.5615	0.202	2	119.5615	0.041	2	119.4772	0.491	20	119.4772	0.491	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	119.3325	0.029	2	118.8955	0.264	4	119.4772	0.491	20	119.4772	0.491	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	118.4585	0.168	2	118.8955	0.264	4	119.4772	0.491	20	119.4772	0.491	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(OZn)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]N[6]C)(OZn){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	120.2330	0.338	2	120.2330	0.114	2	119.4772	0.491	20	119.4772	0.491	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CHHN)	C[6](C[6]C[6]O)(C[6]N[6]C)(OH)	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(CHHN){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	120.1140	0.000	1	120.1140	0.000	1	119.4772	0.491	20	119.4772	0.491	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	B[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]N)(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(NN)	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,4|C<3>}	C[6](C[6]N[6]C)(C[6]O[6]C)(NN){1|B<4>,1|C<3>}	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,7|C<3>}	119.1700	0.000	1	119.1700	0.000	1	119.1700	0.000	1	118.6770	0.486	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[5]-4:C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]O)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(OH)	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<1>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	118.6770	0.486	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	B[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3)	C[6](C[6]C[6a]O[6])(C[6]N[6]C)(NN)	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3){1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]N[6]C)(NN){1|B<4>,1|C<4>,2|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3){1|N<2>,5|C<3>}	118.5100	0.000	1	118.5100	0.000	1	119.2780	0.443	3	119.2780	0.443	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	B[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(NN)	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)(C[6]O[6]C)(NN){1|B<4>,1|C<4>}	N[6](B[6]C[6a]2O[6])(C[6]C[6]C)(CH3){1|N<2>,5|C<3>}	119.6620	0.017	2	119.6620	0.000	2	119.2780	0.443	3	119.2780	0.443	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)2(H){3|C<3>}	117.3580	0.287	3	117.3580	0.082	3	117.8397	0.389	6	119.1311	1.195	50	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|S<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<2>,2|C<3>}	118.8300	0.000	1	118.8300	0.000	1	117.8397	0.389	6	119.1311	1.195	50	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)2(H){3|C<3>}	118.0670	0.008	2	118.0670	0.000	2	117.8397	0.389	6	119.1311	1.195	50	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH){1|N<2>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){3|C<3>,3|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){2|C<3>}	119.1925	0.450	28	119.2277	0.209	30	119.2835	0.296	33	119.1311	1.195	50	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH){2|C<3>,3|N<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){3|C<3>,4|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	119.7205	0.241	2	119.2277	0.209	30	119.2835	0.296	33	119.1311	1.195	50	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH){1|N<2>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){1|Cl<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){2|C<3>}	119.8413	1.094	3	119.8413	1.196	3	119.2835	0.296	33	119.1311	1.195	50	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]N[6]P)(COO)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|H<1>,2|C<3>}	117.3055	0.036	2	117.3055	0.001	2	117.3055	0.001	2	119.1311	1.195	50	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:S-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	118.3930	0.000	2	118.3930	0.000	2	118.3930	0.000	2	119.1311	1.195	50	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:S-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]O)(SCOO)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]O)(SCOO){1|O<1>,4|C<3>}	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|N<3>,3|C<3>}	121.9700	0.000	1	121.9700	0.000	1	121.9700	0.000	1	119.1311	1.195	50	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CCO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CCO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	119.0130	0.000	1	119.0130	0.000	1	118.8183	0.067	4	119.1311	1.195	50	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(CCO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	118.7533	0.275	3	118.7533	0.075	3	118.8183	0.067	4	119.1311	1.195	50	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	S[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3)	C[6](S[6]C[6,6a]O)(C[6]N[6]C)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3){1|O<1>,2|C<3>}	C[6](S[6]C[6,6a]O)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|S<3>,3|C<3>}	122.2610	0.588	2	122.2610	0.346	2	122.2610	0.346	2	119.1311	1.195	50	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]N)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]C)	N[6](C[6]C[5a,6]H)(C[6]C[6]C)(NS)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]N)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]C){1|N<2>,2|H<1>,6|C<3>}	N[6](C[6]C[5a,6]H)(C[6]C[6]C)(NS){3|C<3>}	119.3260	0.000	1	119.3260	0.000	1	119.3260	0.000	1	119.3260	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(COO)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(CH3){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){5|C<3>}	119.0470	0.000	1	119.0470	0.000	1	119.0470	0.000	1	118.8410	0.153	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]S)(CCO)	N[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|S<1>}	C[6](C[6]N[6]C)(C[6]N[6]S)(CCO){1|C<3>,1|C<4>}	N[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){4|C<3>}	118.6970	0.000	1	118.6970	0.000	1	118.5320	0.054	2	118.8410	0.153	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]S)(COO)	N[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|S<1>}	C[6](C[6]N[6]C)(C[6]N[6]S)(COO){1|C<3>,1|C<4>}	N[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){4|C<3>}	118.3670	0.000	1	118.3670	0.000	1	118.5320	0.054	2	118.8410	0.153	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CNO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CNO){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,4|C<3>}	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1	118.8410	0.153	4	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	S[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]S[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]N[6]C)2	N[6](S[6]N[6]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(N[6]S[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)2{1|S<4>,2|H<1>,3|C<3>}	N[6](S[6]N[6]OO)(C[6]C[6]C)(H){2|C<3>}	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	B[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3)	C[6](C[6]N[6]C)2(CHN)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,4|C<3>}	C[6](C[6]N[6]C)2(CHN){1|B<4>,2|C<3>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,9|C<3>}	118.4280	0.000	1	118.3750	0.006	2	118.3750	0.006	2	118.3750	0.006	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	B[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3)	C[6](C[6]N[6]C)2(CHN)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,4|C<3>}	C[6](C[6]N[6]C)2(CHN){1|B<4>,2|C<3>}	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|H<1>,9|C<3>}	118.3220	0.000	1	118.3750	0.006	2	118.3750	0.006	2	118.3750	0.006	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(N[6]S[6]C)(CH3)	C[6](C[6a]C[6a]2)(C[6]N[6]C)2	N[6](S[6]N[6]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6])(N[6]S[6]C)(CH3){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[6](S[6]N[6]OO)(C[6]C[6]C)(CH3){2|C<3>}	121.8515	0.095	2	121.8515	0.009	2	121.8515	0.009	2	121.8515	0.009	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[5a,6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5a,6]P)(N[6]C[6]O)(CH3)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3)	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[5a,6]P)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3){1|O<1>,1|O<2>,3|C<3>}	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O){1|C<3>,1|O<2>,1|P<4>}	120.0750	0.000	1	120.0750	0.000	1	120.0750	0.000	1	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|F<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O){1|C<4>,2|C<3>}	120.1105	0.551	2	120.0147	0.175	4	120.0147	0.175	4	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O){1|C<4>,2|C<3>}	119.9190	0.430	2	120.0147	0.175	4	120.0147	0.175	4	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.9573	0.376	13	118.9573	0.142	13	119.5407	0.679	22	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>}	119.8300	0.066	2	119.8300	0.004	2	119.5407	0.679	22	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	120.0350	0.000	1	120.0350	0.000	1	119.5407	0.679	22	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]O)(CH3)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	120.6260	0.358	6	120.6260	0.128	6	119.5407	0.679	22	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	117.2070	0.000	1	117.2070	0.000	1	117.5668	1.143	25	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)2(H){1|N<3>,2|C<4>}	117.5817	1.090	24	117.5817	1.187	24	117.5668	1.143	25	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|N<3>,2|C<4>}	118.9820	0.000	1	118.9305	0.005	2	119.2420	0.092	30	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	118.8790	0.000	1	118.9305	0.005	2	119.2420	0.092	30	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)2(O){1|N<3>,2|C<4>}	119.2791	0.296	27	119.2643	0.091	28	119.2420	0.092	30	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)2(O){1|C<4>,1|H<1>,1|N<3>}	118.8650	0.000	1	119.2643	0.091	28	119.2420	0.092	30	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CH3){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.4160	0.000	1	119.4160	0.000	1	119.4160	0.000	1	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.7255	1.090	2	120.7255	1.187	2	120.4340	0.514	4	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH){1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CH3){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.0540	0.000	1	120.0540	0.000	1	120.4340	0.514	4	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CH3){1|O<1>,2|C<3>}	C[6](N[6]C[6,6a]O)(C[6]N[6]C)(CCCH){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.2310	0.000	1	120.2310	0.000	1	120.4340	0.514	4	118.9381	1.387	87	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<4>,1|H<1>,1|N<3>}	119.1300	0.000	1	119.1300	0.000	1	119.1300	0.000	1	119.1300	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|C<4>,1|H<1>,1|N<3>}	118.0812	0.319	4	118.0812	0.102	4	118.0812	0.102	4	119.0593	2.395	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:P[6]-3:C[6]-3:	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3)	C[6](C[6]N[6]C)2(CH3)	N[6](C[6a]C[6a]2)(P[6]N[6]Br)(C[6]C[6]C)	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(CH3){1|P<3>,2|C<3>}	N[6](C[6a]C[6a]2)(P[6]N[6]Br)(C[6]C[6]C){3|C<4>,4|C<3>}	121.0155	0.436	2	121.0155	0.190	2	121.0155	0.190	2	119.0593	2.395	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH)	N[6](C[6]C[6]C)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH){1|N<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH){1|C<2>,1|C<4>,3|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]N)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>}	121.3912	0.156	4	121.3912	0.024	4	120.8944	1.253	5	120.5893	1.561	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	118.9070	0.000	1	118.9070	0.000	1	120.8944	1.253	5	120.5893	1.561	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>}	119.0640	0.000	1	119.0640	0.000	1	119.0640	0.000	1	120.5893	1.561	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]N[6]C)(H){1|C<2>,1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|H<1>}	119.5440	0.000	1	119.5440	0.000	1	119.6095	0.009	2	120.6363	3.167	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|H<1>,3|C<4>}	119.6750	0.000	1	119.6750	0.000	1	119.6095	0.009	2	120.6363	3.167	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	S[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]S[6]H)(N[6]C[6]H)(CH3)	C[6](S[6]C[6]OO)(C[6]N[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]S[6]H)(N[6]C[6]H)(CH3){2|C<3>,2|O<1>}	C[6](S[6]C[6]OO)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	122.6900	0.000	1	122.6900	0.000	1	122.6900	0.000	1	120.6363	3.167	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:Ge[6]-2:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]CH)(C[6]N[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]N[6]C)(H){1|Ge<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,3|C<3>,3|C<4>}	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	119.4305	0.154	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:2:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|N<2>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	119.1530	0.000	1	119.1530	0.000	1	119.1530	0.000	1	119.4305	0.154	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(COO){2|C<4>,2|H<1>}	121.7180	0.000	1	121.7180	0.000	1	121.7180	0.000	1	119.3825	0.817	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]CC)(C[6]N[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]CC)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	120.4960	0.000	1	119.3774	0.297	18	119.2596	0.544	19	119.3825	0.817	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]CC)(C[6]N[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]CC)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	119.1820	0.000	1	119.3774	0.297	18	119.2596	0.544	19	119.3825	0.817	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]CC)(C[6]N[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]CC)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.6380	0.000	1	119.3774	0.297	18	119.2596	0.544	19	119.3825	0.817	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]CC)(C[6]N[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]CC)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,2|C<3>,4|H<1>}	119.2908	0.503	9	119.3774	0.297	18	119.2596	0.544	19	119.3825	0.817	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]CC)(C[6]N[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]CC)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	119.1953	0.615	4	119.3774	0.297	18	119.2596	0.544	19	119.3825	0.817	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]CC)(C[6]N[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]CC)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){2|C<3>,2|C<4>,3|H<1>}	119.9080	0.000	1	119.3774	0.297	18	119.2596	0.544	19	119.3825	0.817	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]CC)(C[6]N[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6]CC)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	119.1710	0.000	1	119.3774	0.297	18	119.2596	0.544	19	119.3825	0.817	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]HH)(C[6]N[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]N[6]C)(H){3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H){1|H<1>,3|C<3>,3|C<4>}	117.1390	0.000	1	117.1390	0.000	1	119.2596	0.544	19	119.3825	0.817	20	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|Mo<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	120.5610	0.000	1	120.5610	0.000	1	120.5610	0.000	1	118.5555	8.044	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<3>,1|S<4>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]OO){1|C<4>,3|H<1>}	116.5500	0.000	1	116.5500	0.000	1	116.5500	0.000	1	118.5555	8.044	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	4:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:O-1:	C[6](N[6]C[5,6]O)(C[6]C[6]O)(CCHH)	C[6](C[6]C[5,6]C[6a]2)(C[6]N[6]C)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O)	C[6](N[6]C[5,6]O)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]2)(C[6]N[6]C)(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	122.1330	0.000	1	122.1330	0.000	1	122.1330	0.000	1	122.1330	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.9270	0.160	2	119.9270	0.026	2	119.9270	0.026	2	120.5073	1.023	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	4:3:3:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(CF3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]HO)(C[6]C[6]C)(SCO)	C[6](C[6]C[6]H)(N[6]C[6]S)(CF3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HO)(C[6]C[6]C)(SCO){1|C<4>,3|H<1>}	121.6680	0.000	1	121.6680	0.000	1	121.6680	0.000	1	120.5073	1.023	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|Mo<7>,2|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H){1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	121.7935	0.249	4	121.7935	0.062	4	121.7518	0.088	6	121.7518	0.088	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H)	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|Mo<7>,1|C<4>,3|H<1>}	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H){1|H<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	121.6685	0.486	2	121.6685	0.236	2	121.7518	0.088	6	121.7518	0.088	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<2>}	119.9080	0.083	2	119.7940	0.042	3	119.7643	0.105	14	119.7643	0.105	14	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CN){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6]C)2(H){1|C<2>,1|C<3>,1|C<4>}	119.5660	0.000	1	119.7940	0.042	3	119.7643	0.105	14	119.7643	0.105	14	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){3|C<3>,3|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|H<1>}	119.6897	0.416	6	119.6897	0.173	6	119.7643	0.105	14	119.7643	0.105	14	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:2:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CN){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<2>}	119.8360	0.297	5	119.8360	0.088	5	119.7643	0.105	14	119.7643	0.105	14	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(N[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	120.1400	0.000	1	120.1400	0.000	1	120.1400	0.000	1	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(N[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6]C)(COO)	N[6](C[6]N[6,6]S)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6]N[6,6]S)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	118.1600	0.000	1	118.1600	0.000	1	118.1600	0.000	1	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH)	C[6](C[6]C[6]HH)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	118.6150	0.339	2	118.6150	0.115	2	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	118.3645	0.144	2	118.3645	0.021	2	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	119.7150	0.472	2	119.7150	0.223	2	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CClHH)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CClHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	120.9820	0.000	1	120.9820	0.000	1	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	118.9828	0.604	4	118.9500	0.256	6	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	118.8845	0.414	2	118.9500	0.256	6	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	118.5980	0.000	1	118.5980	0.000	1	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6]C)2(H){1|C<2>,1|C<3>,1|C<4>}	119.5920	0.000	1	118.8472	0.306	25	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	119.2000	0.482	2	118.8472	0.306	25	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	119.2930	0.768	4	118.8472	0.306	25	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	118.6721	0.458	16	118.8472	0.306	25	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	118.6310	0.024	2	118.8472	0.306	25	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	119.9500	0.000	1	119.7760	0.061	2	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	119.6020	0.000	1	119.7760	0.061	2	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	119.0720	0.000	1	119.0965	0.093	4	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|S<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	118.9120	0.000	1	119.0965	0.093	4	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	119.2010	0.472	2	119.0965	0.093	4	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	119.1460	0.279	2	119.1227	0.125	4	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	119.0995	0.544	2	119.1227	0.125	4	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	118.9645	0.388	10	118.9645	0.150	10	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	119.3060	0.332	2	119.3060	0.110	2	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	119.2915	0.247	2	119.2915	0.061	2	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|C<4>}	119.4750	0.000	1	119.4750	0.000	1	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){3|C<3>,3|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	119.0650	0.000	1	119.6210	0.618	2	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	120.1770	0.000	1	119.6210	0.618	2	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|N<3>}	120.5620	0.000	1	119.2617	0.347	136	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|P<4>,3|C<3>}	N[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|P<4>}	119.2827	0.795	3	119.2617	0.347	136	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	119.2514	0.579	132	119.2617	0.347	136	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	119.2720	0.000	1	119.2720	0.000	1	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	119.6050	0.000	1	119.6050	0.000	1	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	118.9833	0.283	6	118.9833	0.080	6	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO){2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	119.3042	0.410	5	119.3042	0.168	5	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	118.7413	0.495	3	118.7413	0.245	3	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	117.6160	0.570	2	119.1058	0.419	32	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	119.2052	0.523	30	119.1058	0.419	32	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>}	118.4910	0.000	1	118.7970	0.365	27	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>}	117.5860	0.000	1	118.7970	0.365	27	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<4>,2|C<3>}	117.4450	0.000	1	118.7970	0.365	27	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	118.9165	0.501	24	118.7970	0.365	27	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]CH)(C[6]N[6]C)(CCO)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]C)(CCO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	118.9110	0.000	1	118.9110	0.000	1	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	119.4260	0.000	1	119.4260	0.000	1	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	118.8170	0.000	1	118.9670	0.019	3	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	119.0420	0.062	2	118.9670	0.019	3	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CHHO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	120.0905	0.066	2	120.0905	0.004	2	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	118.6360	0.134	2	118.6360	0.018	2	119.1348	0.357	286	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(NOO){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|N<3>}	117.7610	0.000	1	117.7610	0.000	1	117.7610	0.000	1	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]C)(COO)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	120.2510	0.000	1	120.2510	0.000	1	119.5415	5.418	4	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(CCO)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	121.0840	0.000	1	121.0840	0.000	1	119.5415	5.418	4	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	120.7430	0.000	1	120.7430	0.000	1	119.5415	5.418	4	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[5,6]-3:C[6]-3:H-1:	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	116.0880	0.000	1	116.0880	0.000	1	119.5415	5.418	4	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CClHH)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CClHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|C<3>}	121.2250	0.000	1	121.2250	0.000	1	121.0542	0.704	9	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CF3)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CF3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|N<2>}	122.8200	0.000	1	122.8200	0.000	1	121.0542	0.704	9	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	120.7420	0.000	1	120.7420	0.000	1	121.0542	0.704	9	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|N<2>}	120.0990	0.000	1	120.7835	0.389	6	121.0542	0.704	9	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|C<3>}	121.5320	0.000	1	120.7835	0.389	6	121.0542	0.704	9	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>,2|N<2>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|N<2>}	120.4330	0.000	1	120.7835	0.389	6	121.0542	0.704	9	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>}	120.4010	0.000	1	120.7835	0.389	6	121.0542	0.704	9	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	121.1180	0.652	2	120.7835	0.389	6	121.0542	0.704	9	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	119.1935	0.036	2	119.1935	0.001	2	119.4613	0.258	20	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.0690	0.000	1	119.6016	0.197	16	119.4613	0.258	20	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	119.6371	0.436	15	119.6016	0.197	16	119.4613	0.258	20	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[6,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]C)(H){2|C<4>,3|C<3>}	118.6070	0.154	2	118.6070	0.024	2	119.4613	0.258	20	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[6,6a]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	118.2410	0.000	1	118.2410	0.000	1	118.2410	0.000	1	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:N-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(NOO)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(NOO){1|H<1>,1|N<2>,3|C<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	118.9630	0.000	1	118.9630	0.000	1	118.9630	0.000	1	119.2058	0.519	324	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO){1|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	119.0205	0.111	2	119.0205	0.012	2	119.3178	0.329	6	119.3178	0.329	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	119.6910	0.000	1	119.6910	0.000	1	119.3178	0.329	6	119.3178	0.329	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,2|H<1>,4|C<3>}	119.8530	0.146	2	119.8530	0.021	2	119.3178	0.329	6	119.3178	0.329	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:3:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	118.4690	0.000	1	118.4690	0.000	1	119.3178	0.329	6	119.3178	0.329	6	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO){1|C<4>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,4|C<3>}	118.9730	0.000	1	118.9730	0.000	1	119.7100	1.952	6	119.8384	1.742	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	122.4390	0.000	1	122.4390	0.000	1	119.7100	1.952	6	119.8384	1.742	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	N[6](C[6]C[6]C)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	119.1970	0.346	2	119.1970	0.120	2	119.7100	1.952	6	119.8384	1.742	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	119.2270	0.809	2	119.2270	0.654	2	119.7100	1.952	6	119.8384	1.742	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:4:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	120.6090	0.000	1	120.6090	0.000	1	120.6090	0.000	1	119.8384	1.742	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(N[6]C[6,6]H)(CF3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]H)(CF3){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(COO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	121.3517	0.409	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	N[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	121.7070	0.000	1	121.7070	0.000	1	121.6730	0.002	2	121.3517	0.409	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	4:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	N[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	121.6390	0.000	1	121.6390	0.000	1	121.6730	0.002	2	121.3517	0.409	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	4:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[4,6]-4:C[6]-3:H-1:	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	120.4300	0.000	1	120.9000	0.442	2	120.9315	0.153	4	121.3517	0.409	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	4:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[4,6]-4:C[6]-3:H-1:	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H){3|C<3>,3|C<4>}	121.3700	0.000	1	120.9000	0.442	2	120.9315	0.153	4	121.3517	0.409	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	4:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[4,6]-4:C[6]-3:H-1:	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[4,6]HH)(C[6]N[6]C)(COO)	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[4,6]HH)(C[6]N[6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	120.9630	0.120	2	120.9630	0.014	2	120.9315	0.153	4	121.3517	0.409	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.1100	0.454	3	121.1100	0.206	3	121.1100	0.206	3	121.1100	0.206	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CH3){2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|H<1>,2|C<4>}	120.4480	0.000	1	120.4480	0.000	1	120.4480	0.000	1	120.4480	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:3:4:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]S)(N[6]C[6]C)(CHHO)	C[6](C[6]C[6]HH)(C[6]N[6]C)(SC[6a]OO)	N[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]C[6]S)(N[6]C[6]C)(CHHO){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	120.1620	0.000	1	120.1620	0.000	1	120.1620	0.000	1	120.1620	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:3:4:	4:4:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:P[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P[6])(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]P[6])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6a]C[6]H)(P[6]O[6]2O)(C[6]N[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|P<4>}	120.2450	0.240	3	120.2450	0.058	3	120.2450	0.058	3	120.2450	0.058	3	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:4:3:	3:3:1:	3:3:3:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(PC[6a]2Au)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P)	C[6](N[6]C[6a]C[6])(PC[6a]2Au)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P){2|C<4>,2|H<1>,3|C<3>}	117.9870	0.000	1	117.9870	0.000	1	117.9870	0.000	1	117.9870	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	3:4:3:	3:3:1:	4:3:3:	N[6]-3:C-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	B[6,6]-4:C[6]-3:C[6]-3:	C[6](N[6]B[6,6]C[6])(CB[6,6]HH)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[6,6]C[6])(CB[6,6]HH)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	119.1670	0.233	2	119.1670	0.054	2	119.1670	0.054	2	119.1670	0.054	2	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:1:	B-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](BC[6a]N[5]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	N[6](C[6]C[6]B)2(H)	C[6](BC[6a]N[5]2)(C[6]C[6]H)(N[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]B)2(H){1|C<3>,2|H<1>}	115.6475	0.124	2	115.6475	0.015	2	115.6475	0.015	2	117.9260	1.244	21	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:1:	C-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.7400	0.000	1	117.7400	0.000	1	117.7400	0.000	1	117.9260	1.244	21	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:1:	C[3x6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[3x6]C[6,6]3)(N[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6]C[3x6]N[6])(C[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6])(O)	C[6](C[3x6]C[6,6]3)(N[6]C[6,6a]O)(C[6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[3x6]N[6])(C[6]C[6,6a]C)(H){1|O<1>,2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6])(O){2|H<1>,3|C<3>,3|C<4>}	116.8520	0.000	1	116.8520	0.000	1	116.8520	0.000	1	117.9260	1.244	21	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:1:	C[4]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	117.8877	0.489	3	117.8877	0.239	3	117.8877	0.239	3	117.9260	1.244	21	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[5,6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5,6]C[6])(C[6]C[6a]C[6])(O)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(N[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]N[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]C[6])(C[6]C[6a]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	118.4260	0.000	1	118.4260	0.000	1	118.4260	0.000	1	117.9260	1.244	21	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	116.9130	0.000	1	116.9130	0.000	1	116.9130	0.000	1	117.9260	1.244	21	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]C)(O){1|C<3>,2|C<4>,3|H<1>}	118.2110	0.184	3	118.2110	0.034	3	118.6620	0.485	8	117.9260	1.244	21	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]2O)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]2O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.7210	0.000	1	117.7210	0.000	1	118.6620	0.485	8	117.9260	1.244	21	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.7850	0.000	1	119.7850	0.000	1	118.6620	0.485	8	117.9260	1.244	21	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.0523	0.241	3	119.0523	0.058	3	118.6620	0.485	8	117.9260	1.244	21	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:1:	P-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]2Fe)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Fe)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	116.7210	0.000	1	116.7210	0.000	1	118.0655	1.243	4	117.9260	1.244	21	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:1:	P-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]2Pd)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Pd)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	118.0900	0.492	2	118.0900	0.242	2	118.0655	1.243	4	117.9260	1.244	21	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:1:	P-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]2Pt)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	N[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](PC[6a]2Pt)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	119.3610	0.000	1	119.3610	0.000	1	118.0655	1.243	4	117.9260	1.244	21	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:4:	As-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](AsC[6a]2Rh)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]N[6]As)(C[6]C[6]H)(H)	N[6](C[6]C[6]As)(C[6]C[6]H)(CCHH)	C[6](AsC[6a]2Rh)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]N[6]As)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]As)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	118.7000	0.000	1	118.7000	0.000	1	118.7000	0.000	1	118.5307	0.285	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:4:	C-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	118.1350	0.000	1	118.1350	0.000	1	118.4430	0.190	2	118.5307	0.285	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:4:	C-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	118.7510	0.000	1	118.7510	0.000	1	118.4430	0.190	2	118.5307	0.285	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:4:	C[4]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3)	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3){3|C<3>,3|H<1>}	118.8800	0.000	1	118.2587	0.290	3	118.2587	0.290	3	118.5307	0.285	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:4:	C[4]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3)	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	117.9480	0.028	2	118.2587	0.290	3	118.2587	0.290	3	118.5307	0.285	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	3:3:1:	3:3:4:	P-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](PC[6a]2Ir)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(CIrHH)	C[6](PC[6a]2Ir)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(CIrHH){1|C<3>,2|H<1>}	119.3530	0.000	1	119.3530	0.000	1	119.3530	0.000	1	118.5307	0.285	7	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	4:3:3:	4:3:3:	3:3:1:	C[5]-4:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5]N[6])(COO)	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[5]N[6])(COO){1|N<3>,2|H<1>,2|S<2>,3|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	119.4420	0.000	1	119.4420	0.000	1	119.4420	0.000	1	119.4420	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	5:3:3:	3:3:1:	3:3:1:	C[3x3,3x5,12x6]-5:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[3x3,3x5,12x6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|B<5>,1|C<3>,4|B<6>,6|H<1>}	C[6](C[6]C[3x3,3x5,12x6]N[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	N[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	116.4130	0.000	1	116.4130	0.000	1	116.4130	0.000	1	116.4130	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP2	C[6]	C[6]	N[6]	5:3:3:	3:3:1:	3:3:4:	P-5:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](PC[6a]2FF)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	C[6](PC[6a]2FF)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	119.1420	0.000	1	119.1420	0.000	1	119.1420	0.000	1	119.1420	0.000	1	120.1272	3.429	17312	120.1223	3.494	18469
762	762	856	6:SP2_SP2_SP3	C[3x6]	C[6,6]	N[6,6]	3:3:3:	3:4:3:	3:4:4:	C[6,6]-3:C[6,6]-3:N[6,6]-3:	C[3x6]-3:C[6]-4:C[6]-3:	C[3x6]-3:C[6]-4:C[6]-4:	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H)	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2){10|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<4>}	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	117.6533	0.558	3	117.6533	0.311	3	117.6533	0.311	3	117.6533	0.311	3	119.8013	5.667	6	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[3x6]	C[6,6]	N[6,6]	3:3:3:	3:4:4:	3:4:4:	C[6,6]-3:C[6,6]-3:N[6,6]-3:	C[3x6]-3:C[6]-4:C[6]-4:	C[3x6]-3:C[6]-4:C[6]-4:	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH)	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2){10|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH){1|B<3>,1|N<3>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	121.9493	0.126	3	121.9493	0.016	3	121.9493	0.016	3	121.9493	0.016	3	119.8013	5.667	6	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[3x6]	3:3:3:	4:3:1:	4:4:3:	C[6,6]-3:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O){2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	113.8225	0.180	6	113.8225	0.033	6	113.6642	0.057	11	113.6642	0.057	11	113.5951	0.109	12	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[3x6]	3:3:3:	4:3:1:	4:4:3:	C[6,6]-3:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O){2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	113.4742	0.135	5	113.4742	0.018	5	113.6642	0.057	11	113.6642	0.057	11	113.5951	0.109	12	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[3x6]	3:3:3:	4:3:2:	4:4:3:	C[6,6]-3:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NN)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NN){2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|N<2>,4|H<1>}	112.8350	0.000	1	112.8350	0.000	1	112.8350	0.000	1	112.8350	0.000	1	113.5951	0.109	12	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6,6]	3:3:4:	4:3:4:	4:3:3:	N[6,6]-3:C[6,6]-3:C[6]-4:	C[6]-4:C[6,6]-3:C[6]-4:	C[3x6]-4:C[6,6a]-3:C[6,6]-3:	C[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH)	N[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6](N[6,6]C[6,6a]C[3x6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]N[6,6]C[6])(C[6]C[6]HH){3|C<3>,3|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<3>,6|C<4>,6|H<1>}	121.6990	0.027	2	121.6990	0.001	2	121.6990	0.001	2	121.6990	0.001	2	121.6990	0.001	2	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	3:3:2:	4:3:3:	3:4:4:	C[6,6]-3:N[6]-3:O[6]-2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6])(C[6]N[6]O)	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6])(C[6]N[6]O){3|H<1>,6|C<4>}	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>}	122.7640	0.000	1	122.7640	0.000	1	122.7640	0.000	1	122.7640	0.000	1	120.9955	4.421	6	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(N[6]C[6]H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	121.0570	0.000	1	120.9955	4.421	6	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	3:3:3:	3:4:4:	3:4:4:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]C){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	123.8250	0.000	1	123.8250	0.000	1	123.8250	0.000	1	123.8250	0.000	1	120.9955	4.421	6	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	120.7080	0.000	1	120.7080	0.000	1	120.1660	0.588	2	120.1660	0.588	2	120.9955	4.421	6	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	119.6240	0.000	1	119.6240	0.000	1	120.1660	0.588	2	120.1660	0.588	2	120.9955	4.421	6	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6,6]	C[6,6]	N[6]	3:4:3:	4:3:3:	3:4:3:	C[6,6]-3:C[6]-4:N[6]-3:	C[5,6]-4:C[6,6a]-3:C[6,6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[5,6]HH)(N[6]C[6]C)	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO)	C[6,6](C[6,6]C[6,6a]C[5,6])(C[6]C[5,6]HH)(N[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]){2|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO){2|C<3>,2|C<4>,2|H<1>}	117.9950	0.000	1	117.9950	0.000	1	117.9950	0.000	1	117.9950	0.000	1	120.9955	4.421	6	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:3:2:	3:3:4:	4:3:4:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:N[6]-3:C-4:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[5,6,6]C[6])(C[6]N[6]C)(N[6]C[6])	C[6](C[6,6]N[6,6]N[6])(N[6]C[6]H)(CCCH)	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH)	C[6,6](N[6,6]C[5,6,6]C[6])(C[6]N[6]C)(N[6]C[6]){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6]N[6,6]N[6])(N[6]C[6]H)(CCCH){1|C<3>,1|O<1>,2|C<4>}	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	118.2630	0.000	1	118.2630	0.000	1	118.2630	0.000	1	118.2630	0.000	1	118.2045	0.367	4	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6]-3:N[6,6]-3:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2)	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]C[6]HH){3|H<1>,4|C<3>}	119.0030	0.000	1	119.0030	0.000	1	119.0030	0.000	1	119.0030	0.000	1	118.2045	0.367	4	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	S[6]-4:C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6]S[6])(C[6]C[6,6a]O)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O)	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6,6a]O)(C[6]N[6]C){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O){1|C<3>,1|N<2>,1|N<3>,1|S<4>,3|C<4>}	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	118.2045	0.367	4	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6,6]	C[6]	N[6,6]	3:3:3:	3:3:4:	4:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C-4:	S[6]-4:C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6]S[6])(C[6]C[6,6a]O)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6,6a]O)(C[6]N[6]C){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	117.5590	0.000	1	117.5590	0.000	1	117.5590	0.000	1	117.5590	0.000	1	118.2045	0.367	4	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6,6]	3:3:1:	3:3:3:	3:4:3:	N[6,6]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]2)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O)	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O){2|C<4>,2|S<2>,3|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O){1|S<2>,2|H<1>,6|C<3>}	117.9850	0.000	1	117.9850	0.000	1	117.9850	0.000	1	117.9850	0.000	1	117.9850	0.000	1	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6,6]	N[6]	3:3:1:	3:4:3:	4:3:3:	C[6,6]-3:N[6]-3:H-1:	C[3x6]-3:C[6]-4:C[6]-3:	C[6]-4:B[5a]-3:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H)	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H)	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H){1|C<3>,2|C<4>,3|H<1>,3|N<3>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<4>}	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	122.6050	0.000	1	122.6050	0.000	1	122.6050	0.000	1	122.6050	0.000	1	122.6050	0.000	1	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	121.7350	0.000	1	121.7350	0.000	1	121.7350	0.000	1	118.8173	6.494	3	120.4844	9.915	16	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:4:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]N[6,6]O)(H)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O){2|H<1>,3|C<3>}	117.0280	0.000	1	117.0280	0.000	1	117.3585	0.218	2	118.8173	6.494	3	120.4844	9.915	16	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:3:1:	3:3:1:	4:4:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){3|C<4>,4|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	117.6890	0.000	1	117.6890	0.000	1	117.3585	0.218	2	118.8173	6.494	3	120.4844	9.915	16	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:3:1:	3:3:2:	4:4:3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]S)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]O)(SC)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]S)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]N[6,6]O)(C[6]C[6]O)(SC){1|H<1>,3|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	116.7690	0.000	1	116.7690	0.000	1	116.7690	0.000	1	116.7690	0.000	1	120.4844	9.915	16	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:3:1:	4:3:3:	4:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]H)(CHO)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H){1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]H)(CHO){1|H<1>,3|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	124.0940	0.000	1	124.0940	0.000	1	124.0940	0.000	1	124.0940	0.000	1	120.4844	9.915	16	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:3:1:	4:4:3:	4:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6]-4:C[6]-3:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]2)(H)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]2)(H){1|N<3>,4|C<4>,6|H<1>}	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H){3|H<1>,6|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,5|C<4>}	125.5590	0.008	2	125.5590	0.000	2	125.5590	0.000	2	125.5423	0.001	3	120.4844	9.915	16	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:3:1:	4:4:3:	4:4:3:	N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]2)(H)	C[6](C[6]C[6,6]N[6,6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]2)(H){2|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]N[6,6]H)(C[6]C[6,6]HH)(C[6]N[6,6]H){2|H<1>,7|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){4|H<1>,7|C<4>}	125.5090	0.000	1	125.5090	0.000	1	125.5090	0.000	1	125.5423	0.001	3	120.4844	9.915	16	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,6|C<3>}	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H){1|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H){1|N<3>,3|H<1>,6|C<3>}	118.5250	0.000	1	118.5250	0.000	1	118.5250	0.000	1	118.5250	0.000	1	120.4844	9.915	16	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6,6]-4:C[6]-3:	C[6](N[6,6]N[5a,6]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H)	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	C[6](N[6,6]N[5a,6]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	118.9690	0.000	1	118.9690	0.000	1	118.9690	0.000	1	118.8720	0.019	2	120.4844	9.915	16	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:3:3:	3:3:1:	3:4:3:	N[6,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:I-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]I)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(I)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]I)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(I){1|C<4>,1|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|C<3>}	118.7750	0.000	1	118.7750	0.000	1	118.7750	0.000	1	118.8720	0.019	2	120.4844	9.915	16	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:2:	N[6,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6](N[6,6]C[6,6]O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[6])	C[6](N[6,6]C[6,6]O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	120.0710	0.000	1	120.0710	0.000	1	120.0710	0.000	1	120.0710	0.000	1	120.4844	9.915	16	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:3:3:	3:3:1:	4:3:3:	N[6,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,7|C<3>}	118.3710	0.000	1	118.3710	0.000	1	118.3710	0.000	1	118.3710	0.000	1	120.4844	9.915	16	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:3:3:	3:4:1:	3:4:3:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CO)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CO)(H){1|C<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	117.5150	0.000	1	117.5150	0.000	1	117.5150	0.000	1	117.5150	0.000	1	120.4844	9.915	16	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:3:3:	3:4:1:	4:3:4:	C[6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6]N[6,6]C[6a])(C[6]C[6,6]HH)(H)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6a]C[6a,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	C[6](C[6]N[6,6]C[6a])(C[6]C[6,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	121.5400	0.000	1	121.5400	0.000	1	121.5400	0.000	1	121.5400	0.000	1	120.4844	9.915	16	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6,6]	3:3:3:	3:4:1:	4:4:3:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6,6]-4:S[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]N[6,6]C[6a])(C[6]C[6a]C[6]H)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(S[6]C[6,6a]OO)(C[6]C[6a]C[6])	C[6](N[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6](C[6]N[6,6]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6]N[6,6]C[6]H)(S[6]C[6,6a]OO)(C[6]C[6a]C[6]){2|C<4>,3|H<1>,4|C<3>}	120.0420	0.000	1	120.0420	0.000	1	120.0420	0.000	1	120.0420	0.000	1	120.4844	9.915	16	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	121.2760	0.000	1	121.2760	0.000	1	122.3525	2.318	2	122.7120	1.547	3	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	123.4290	0.000	1	123.4290	0.000	1	122.3525	2.318	2	122.7120	1.547	3	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	123.4310	0.000	1	123.4310	0.000	1	123.4310	0.000	1	122.7120	1.547	3	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<3>,2|H<1>}	120.8455	0.286	2	120.8455	0.082	2	120.8455	0.082	2	120.3345	10.827	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH)	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH){2|C<3>,2|H<1>}	115.8640	0.000	1	115.8640	0.000	1	115.8640	0.000	1	120.3345	10.827	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:1:	4:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|Fe<10>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]N[6]H)(H){1|Fe<10>,1|S<4>,2|C<4>}	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	123.7830	0.000	1	123.7830	0.000	1	123.7830	0.000	1	120.3345	10.827	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(C[6]S[6]N)(CN)	N[6](C[6]S[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,1|S<2>,2|C<4>}	C[6](C[6]N[6]O)(C[6]S[6]N)(CN){1|C<4>,1|H<1>}	N[6](C[6]S[6]CC)(C[6]C[6]O)(H){1|C<2>,1|C<3>}	118.4130	0.000	1	118.4130	0.000	1	118.4130	0.000	1	118.4130	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(N[6]C[6])	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(N[6]C[6]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO){1|N<2>,4|C<3>}	119.5580	0.000	1	119.5580	0.000	1	119.5580	0.000	1	121.7915	1.354	6	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|C<4>,1|F<1>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	121.9480	0.508	2	122.2382	0.197	5	122.2382	0.197	5	121.7915	1.354	6	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	122.1470	0.000	1	122.2382	0.197	5	122.2382	0.197	5	121.7915	1.354	6	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6])	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(O[6]C[6]){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.5740	0.355	2	122.2382	0.197	5	122.2382	0.197	5	121.7915	1.354	6	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:S-4:	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H){1|C<4>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,6|C<3>}	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	122.1680	0.000	1	122.1680	0.000	1	122.1680	0.000	1	122.1680	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]O)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){3|C<3>}	115.8750	0.000	1	115.8750	0.000	1	115.8750	0.000	1	115.8750	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]S)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]S)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	121.7820	0.334	2	121.7820	0.111	2	121.7820	0.111	2	120.4728	8.114	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(SC[6a]OO){3|C<3>}	122.1110	0.000	1	122.1110	0.000	1	122.1110	0.000	1	120.4728	8.114	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:S-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]S)(N[6]C[6]C)(O)	C[6](C[6]C[6]O)(C[6]N[6]O)(SCC)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]S)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]O)(SCC){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	116.2160	0.000	1	116.2160	0.000	1	116.2160	0.000	1	120.4728	8.114	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:3:4:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH){1|C<4>,2|C<3>}	124.8880	0.000	1	124.8880	0.000	1	124.8880	0.000	1	124.8880	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	3:4:2:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-4:O[6]-2:	C[6]-4:C[6]-3:S-4:	C[6](C[6]O[6]C)(N[6]C[6]S)(H)	C[6](C[6]N[6]H)(CC[6a]HH)(O[6]C[6])	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]O[6]C)(N[6]C[6]S)(H){1|C<4>,2|H<1>}	C[6](C[6]N[6]H)(CC[6a]HH)(O[6]C[6]){1|H<1>,1|S<4>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	121.1630	0.000	1	121.1630	0.000	1	121.1630	0.000	1	121.1630	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|C<4>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>}	122.5670	0.000	1	122.5670	0.000	1	122.5670	0.000	1	122.3145	1.169	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|S<4>,4|C<3>}	N[6](C[6]C[6]H)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	122.1400	0.000	1	122.1400	0.000	1	121.5550	0.684	2	122.3145	1.169	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]O[6]HH)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]N[6]H)(H){1|C<3>,1|S<4>}	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO){1|C<4>,1|H<1>}	120.9700	0.000	1	120.9700	0.000	1	121.5550	0.684	2	122.3145	1.169	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	3:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CC)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	123.5810	0.000	1	123.5810	0.000	1	123.5810	0.000	1	122.3145	1.169	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:3:	N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	123.0460	0.000	1	123.0460	0.000	1	123.0460	0.000	1	123.0460	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H){1|S<4>,2|C<4>,2|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,3|C<4>}	120.7600	0.000	1	120.7600	0.000	1	121.3375	0.667	2	123.2772	2.346	11	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]H)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SCOO)	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SCOO){2|C<4>,2|H<1>}	121.9150	0.000	1	121.9150	0.000	1	121.3375	0.667	2	123.2772	2.346	11	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6]OO){1|C<3>,1|C<4>,1|H<1>}	121.9070	0.000	1	121.9070	0.000	1	122.6210	1.020	2	123.2772	2.346	11	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>}	123.3350	0.000	1	123.3350	0.000	1	122.6210	1.020	2	123.2772	2.346	11	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:4:	N[6]-3:C[6]-3:H-1:	C[4x6]-4:C[6]-3:H-1:	C[4,6,6]-4:C[6]-3:C-4:	C[6](N[6]C[4,6,6]C)(C[6]C[4x6]H)(H)	C[6](C[4x6]C[4,4x6]C[5x6]H)(C[6]N[6]H)(H)	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH)	C[6](N[6]C[4,6,6]C)(C[6]C[4x6]H)(H){2|H<1>,3|C<4>}	C[6](C[4x6]C[4,4x6]C[5x6]H)(C[6]N[6]H)(H){2|N<3>,5|C<4>}	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH){1|N<3>,2|H<1>,3|C<4>}	124.9810	0.000	1	124.9810	0.000	1	124.9810	0.000	1	123.2772	2.346	11	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:1:	4:3:4:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	123.8585	1.301	6	123.8585	1.692	6	123.8585	1.692	6	123.2772	2.346	11	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:2:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CN){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>}	123.9460	0.000	1	123.9460	0.000	1	123.9460	0.000	1	123.9460	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:2:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-2:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]S)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(SC[6a])	N[6](C[6]C[6]CS)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6]S)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(SC[6a]){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]CS)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>}	123.7830	0.000	1	123.7830	0.000	1	123.7830	0.000	1	123.7830	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]H){1|S<4>,3|H<1>,5|C<3>}	N[6](C[6]C[6]H)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	124.0950	0.000	1	124.0950	0.000	1	124.0950	0.000	1	124.0950	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	3:4:2:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:S-4:N[6]-2:	C[6](C[6]C[6]C)(N[6]N[6]S)(H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O)	N[6](C[6]C[6]H)(SC[6a]OO)(N[6]C[6])	C[6](C[6]C[6]C)(N[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|N<2>,1|S<4>}	N[6](C[6]C[6]H)(SC[6a]OO)(N[6]C[6]){1|C<4>,2|C<3>}	120.3410	0.000	1	120.3410	0.000	1	120.3410	0.000	1	120.3410	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:1:	4:3:3:	4:3:4:	C[6]-3:N[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|S<4>,2|N<3>,4|C<3>,5|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	125.4530	0.000	1	125.4530	0.000	1	125.4530	0.000	1	125.4530	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:2:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(SC)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO)	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(SC){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(NOO){1|C<4>,1|N<3>,3|C<3>}	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3){1|C<4>,2|N<3>}	118.7685	0.702	2	118.7685	0.493	2	118.7685	0.493	2	118.7685	0.493	2	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.1260	0.000	1	118.1260	0.000	1	118.1260	0.000	1	118.1260	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[5]C[6])(H)	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	118.6310	0.096	2	118.6310	0.009	2	118.6310	0.009	2	118.6310	0.009	2	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|N<2>,3|H<1>,6|C<3>}	120.5160	0.000	1	120.5160	0.000	1	120.5160	0.000	1	120.5160	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCO){3|C<3>,3|H<1>}	117.8400	0.000	1	117.8400	0.000	1	117.8400	0.000	1	117.8400	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[5a,6]Cl)(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]N[6])(Cl)	N[6](C[6]C[5a,6]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[5a,6]Cl)(N[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]N[6])(Cl){1|C<4>,5|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	118.7180	0.000	1	118.7180	0.000	1	118.7180	0.000	1	119.6330	0.542	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6a]-3:	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.2620	0.000	1	120.2620	0.000	1	120.2620	0.000	1	119.6330	0.542	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])(H){1|C<4>,5|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	119.3570	0.000	1	119.3570	0.000	1	119.3570	0.000	1	119.6330	0.542	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	S[6]-4:C[6]-3:C[6a]-3:	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](S[6]C[6,6a]OO)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,2|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<4>,5|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	120.1950	0.000	1	120.1950	0.000	1	120.1950	0.000	1	119.6330	0.542	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[5a,6]-3:C[6]-3:O-1:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O)	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O){1|C<4>,1|S<4>,2|C<3>}	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	120.7683	1.090	3	120.7683	1.188	3	120.7683	1.188	3	120.5259	0.444	17	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<1>,2|C<3>}	118.7050	0.000	1	118.7050	0.000	1	120.4984	0.368	13	120.5259	0.444	17	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	120.6478	0.290	12	120.6478	0.084	12	120.4984	0.368	13	120.5259	0.444	17	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:1:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]N[6]H)(N[6]C[6]S)(CCH)	C[6](C[6]N[6]C)(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]N[6]H)(N[6]C[6]S)(CCH){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]S)(H){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|N<3>,3|H<1>}	120.1560	0.000	1	120.1560	0.000	1	120.1560	0.000	1	120.5259	0.444	17	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|S<4>,2|C<3>,2|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	119.8528	0.139	4	119.8528	0.019	4	120.3199	0.354	7	120.3199	0.354	7	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|S<4>,2|C<3>,2|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	120.9427	0.127	3	120.9427	0.016	3	120.3199	0.354	7	120.3199	0.354	7	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	120.4340	0.000	1	120.4340	0.000	1	120.6062	0.869	50	120.6062	0.869	50	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	118.8160	0.460	4	118.8160	0.212	4	120.6062	0.869	50	120.6062	0.869	50	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH){1|O<2>,2|C<3>}	119.6447	0.157	3	119.6447	0.025	3	120.6062	0.869	50	120.6062	0.869	50	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	120.2540	0.000	1	120.2540	0.000	1	120.6062	0.869	50	120.6062	0.869	50	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	120.9043	0.781	30	120.9043	0.611	30	120.6062	0.869	50	120.6062	0.869	50	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OC)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	119.4560	0.000	1	119.4560	0.000	1	120.6062	0.869	50	120.6062	0.869	50	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	121.1552	0.277	6	121.1552	0.077	6	120.6062	0.869	50	120.6062	0.869	50	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH){1|O<2>,2|C<3>}	121.2850	0.000	1	121.2850	0.000	1	120.6062	0.869	50	120.6062	0.869	50	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	120.7650	0.000	1	120.7650	0.000	1	120.6062	0.869	50	120.6062	0.869	50	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	119.2680	0.000	1	119.2680	0.000	1	120.6062	0.869	50	120.6062	0.869	50	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:2:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	S[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH){1|O<2>,2|C<3>}	120.5900	0.000	1	120.5900	0.000	1	120.6062	0.869	50	120.6062	0.869	50	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:N[6]-3:C[6]-3:	N[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](N[6]C[6,6a]C[6a])2(C[6]N[6]2)	C[6](N[6]C[6,6a]C[6a])2(C[6]N[6]2)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](N[6]C[6,6a]C[6a])2(C[6]N[6]2){11|C<3>}	C[6](N[6]C[6,6a]C[6a])2(C[6]N[6]2){11|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]N[6])(C[6a]C[6a]2){2|N<3>,3|H<1>,6|C<3>}	121.4660	0.000	1	121.4660	0.000	1	121.4660	0.000	1	121.4660	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:3:	4:3:4:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH)	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH){1|C<4>,1|H<1>,1|S<4>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|H<1>,2|C<3>}	114.9740	0.033	2	114.9740	0.001	2	114.9740	0.001	2	114.9740	0.001	2	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:Si-4:	Ge[6]-3:C[6]-3:Si-4:	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3)	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[6,6a]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Ge<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]N[6])(SiC3){1|Ge<3>,1|Si<4>,1|H<1>,4|C<3>}	N[6](Ge[6]N[6,6a]Ge[6])(C[6]C[6a]C[6])(SiC3){1|Fe<5>,1|Si<4>,2|N<3>,4|C<3>}	123.8870	0.000	1	123.8870	0.000	1	123.8870	0.000	1	123.8870	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:4:1:	3:4:4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[5]N[6])(C[6]C[6]CC)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]CC)(CCCH)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]C){2|C<3>,7|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]CC)(H){2|C<4>,2|H<1>,2|N<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]CC)(CCCH){1|C<4>,2|N<3>,3|H<1>}	126.2970	0.000	1	126.2970	0.000	1	126.2970	0.000	1	122.9555	22.331	2	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	3:4:1:	3:4:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:S-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	119.6140	0.000	1	119.6140	0.000	1	119.6140	0.000	1	122.9555	22.331	2	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){1|H<1>,1|S<4>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	120.2140	0.000	1	120.2140	0.000	1	120.2140	0.000	1	120.2140	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	4:3:3:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6,6]N)	C[6](C[6,6]O[6,6]O[6]C)(C[6]C[6a]N[6])(H)	N[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(NCH)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6,6]N){2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]O[6,6]O[6]C)(C[6]C[6a]N[6])(H){1|C<4>,1|N<3>,3|C<3>}	N[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(NCH){1|C<4>,1|H<1>,4|C<3>}	117.9900	0.000	1	117.9900	0.000	1	117.9900	0.000	1	117.9900	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	4:3:1:	4:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:S-4:	C[6](N[6]C[6,6]S)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(SC[6a]OO)	C[6](N[6]C[6,6]S)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	N[6](C[6]C[6]N)2(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	N[6](C[6]C[6]N)2(CH3){1|C<4>,2|N<3>}	117.7230	0.000	1	117.7230	0.000	1	117.9603	0.183	4	117.9603	0.183	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3){1|C<4>,2|N<3>}	118.2015	0.564	2	118.2015	0.318	2	117.9603	0.183	4	117.9603	0.183	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:3:	4:3:3:	3:3:4:	C[6]-3:N[6]-3:N-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO)	N[6](C[6]C[6]N)2(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(NOO){1|C<4>,1|N<3>,3|C<3>}	N[6](C[6]C[6]N)2(CH3){1|C<4>,2|N<3>}	117.7150	0.000	1	117.7150	0.000	1	117.9603	0.183	4	117.9603	0.183	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	114.5620	0.000	1	114.5620	0.000	1	114.5620	0.000	1	114.5620	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	122.3165	0.332	2	122.3165	0.110	2	122.3165	0.110	2	122.3165	0.110	2	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	S[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	N[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(CCHH){2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,3|C<3>}	N[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,4|C<3>}	120.0660	0.000	1	120.0660	0.000	1	120.0660	0.000	1	120.3165	0.126	2	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:4:	3:3:1:	4:3:3:	N[6]-3:C[6]-3:C[3]-4:	C[6,6a]-3:C[6]-3:H-1:	S[6]-4:C[6]-3:C[6a]-3:	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[3]C[3]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6])(H)	N[6](S[6]C[6,6a]OO)(C[6]C[3]C[6])(C[6a]C[6a]2)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[3]C[3]2H){2|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6])(H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[3]C[6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	120.5670	0.000	1	120.5670	0.000	1	120.5670	0.000	1	120.3165	0.126	2	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:4:	3:3:2:	3:3:4:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:S-2:	C[5,6]-3:C[6]-3:C-4:	C[6](N[6]C[5,6]C)(C[6]N[6]S)(CH3)	C[6](N[6]C[5,6]C[6a])(C[6]N[6]C)(SC)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(CC[6a]HH)	C[6](N[6]C[5,6]C)(C[6]N[6]S)(CH3){3|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]N[6]C)(SC){1|Se<2>,1|C<4>,3|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(CC[6a]HH){1|Se<2>,1|N<3>,1|S<2>,2|C<3>}	120.5400	0.000	1	120.5400	0.000	1	120.5400	0.000	1	120.5400	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH){1|N<2>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){1|Cl<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){2|C<3>}	119.2240	0.000	1	119.2240	0.000	1	119.2240	0.000	1	119.2240	0.000	1	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H)	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|Mo<7>,1|C<4>,3|H<1>}	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H){1|H<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	121.6850	0.000	1	121.6850	0.000	1	122.6785	1.974	2	122.6785	1.974	2	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:4:	4:3:1:	4:3:4:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|Mo<7>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(C[6]N[6]C)(H){1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|C<3>,2|H<1>}	123.6720	0.000	1	123.6720	0.000	1	122.6785	1.974	2	122.6785	1.974	2	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	119.0940	0.065	2	119.0940	0.004	2	119.0940	0.004	2	119.3372	0.080	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	119.5770	0.000	1	119.5770	0.000	1	119.5805	0.000	2	119.3372	0.080	4	120.7620	3.972	154	120.2467	7.055	202
762	762	856	6:SP2_SP2_SP3	C[6]	C[6]	N[6]	3:3:4:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	119.5840	0.000	1	119.5840	0.000	1	119.5805	0.000	2	119.3372	0.080	4	120.7620	3.972	154	120.2467	7.055	202