643	643	910	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Cl	3:3:4:	3:3:1:	3:3:1:1:	C[6a]-3:C[6a]-3:Cl-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:O-1:O-1:	C[6a](C[6a]C[6a]H)2(ClNOO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H)	Cl(C[6a]C[6a]2)(NC[6a]C)(O)2	C[6a](C[6a]C[6a]H)2(ClNOO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6a]C[6a]2)(NC[6a]C)(O)2	119.6425	0.523	2	119.6425	0.273	2	119.6425	0.273	2	119.6425	0.273	2	119.6425	0.273	2	119.6425	0.273	2
643	643	913	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga[4]	3:3:3:	3:3:3:	3:3:3:	Ga[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	Ga[4]-3:N[4]-3:C[6a]-3:	C[6a](Ga[4]Ga[4]N[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Ga[4])(C[6a]C[6a]2)(C[6a]C[6a]H)	Ga[4](Ga[4]C[6a]N[4])(N[4]C[6a]N[4])(C[6a]C[6a]2)	C[6a](Ga[4]Ga[4]N[4])(C[6a]C[6a]2)2{1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]Ga[4])(C[6a]C[6a]2)(C[6a]C[6a]H){1|Ga<3>,1|H<1>,1|N<3>,2|C<4>,4|C<3>}	Ga[4](Ga[4]C[6a]N[4])(N[4]C[6a]N[4])(C[6a]C[6a]2){9|C<3>}	120.4765	8.769	2	120.4765	76.892	2	120.4765	76.892	2	120.4765	76.892	2	120.4765	76.892	2	120.4765	76.892	2
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])2(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]N[6])2(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6])2(N[6]C[6,6a]){1|Re<6>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])2(N[6]C[6,6a]){1|Re<6>,2|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	119.0980	0.300	2	119.0980	0.090	2	119.0980	0.090	2	119.0980	0.090	2	118.6040	0.366	4	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	118.1100	0.178	2	118.1100	0.032	2	118.1100	0.032	2	118.1100	0.032	2	118.6040	0.366	4	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C){1|N<2>,3|C<3>}	117.9840	0.775	2	117.9840	0.601	2	117.9840	0.601	2	118.6623	1.681	3	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6])	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6])(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.0190	0.000	1	120.0190	0.000	1	120.0190	0.000	1	118.6623	1.681	3	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C){1|H<1>,2|N<2>,4|C<3>}	120.2390	0.000	1	120.2390	0.000	1	120.2390	0.000	1	120.2390	0.000	1	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(N[6]N[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(N[6]N[6]){2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]){1|N<3>,4|C<3>}	122.8900	0.000	2	122.8900	0.000	2	122.8900	0.000	2	122.8900	0.000	2	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	119.2200	0.000	1	119.2200	0.000	1	119.2200	0.000	1	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Os<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	119.8760	0.000	1	119.8760	0.000	1	119.8760	0.000	1	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C){1|N<3>,1|O<2>,1|S<2>,3|C<3>}	119.6610	0.000	1	119.6610	0.000	1	119.5446	0.112	13	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	119.4410	0.000	1	119.3017	0.036	6	119.5446	0.112	13	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	119.4610	0.163	2	119.3017	0.036	6	119.5446	0.112	13	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	119.1490	0.088	3	119.3017	0.036	6	119.5446	0.112	13	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	120.0330	0.489	2	119.8188	0.103	5	119.5446	0.112	13	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	119.6760	0.103	3	119.8188	0.103	5	119.5446	0.112	13	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	119.5150	0.000	1	119.5150	0.000	1	119.5446	0.112	13	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]){1|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	117.2030	0.000	1	118.0173	0.520	3	118.0173	0.520	3	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]){2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	118.4245	0.211	2	118.0173	0.520	3	118.0173	0.520	3	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]){1|Ir<6>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	120.6950	0.396	2	120.8000	0.111	3	119.5618	1.169	8	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]){1|Ru<6>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	121.0100	0.000	1	120.8000	0.111	3	119.5618	1.169	8	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	119.4300	0.000	1	119.0095	0.354	2	119.5618	1.169	8	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C){1|N<3>,1|O<2>,1|S<2>,3|C<3>}	118.5890	0.000	1	119.0095	0.354	2	119.5618	1.169	8	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	118.4200	0.000	1	118.4200	0.000	1	119.5618	1.169	8	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C){1|H<1>,1|O<2>,4|C<3>}	118.8275	0.135	2	118.8275	0.018	2	119.5618	1.169	8	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]N[6])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]N[6]){1|B<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6]){1|O<2>,2|F<1>,5|C<3>}	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:N[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6a,6a](C[6,6a]N[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6,6a]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6a,6a](C[6,6a]N[6,6a]N[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6,6a]N){5|C<3>}	117.2887	0.042	3	117.2887	0.002	3	117.2887	0.002	3	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:N[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6]C[6,6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]){1|H<1>,1|N<3>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	118.2180	0.000	1	118.2180	0.000	1	118.2180	0.000	1	119.0860	1.038	31	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6]C[6,6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H){2|C<4>,2|H<1>,3|C<3>}	120.1400	0.000	1	120.1400	0.000	1	120.1400	0.000	1	120.0765	0.008	2	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6])	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H){1|C<4>,6|C<3>}	120.0130	0.000	1	120.0130	0.000	1	120.0130	0.000	1	120.0765	0.008	2	119.3288	1.710	39	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]F)(N[6]S[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(F)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6])	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]F)(N[6]S[6]){1|C<3>,1|N<2>,2|F<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(F){1|Se<2>,1|C<3>,1|H<1>,1|S<2>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]){1|Se<2>,1|F<1>,2|C<3>}	116.2138	0.623	4	116.2138	0.388	4	116.2138	0.388	4	118.1154	5.122	8	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]){2|H<1>,3|C<3>}	119.6240	0.000	1	119.6240	0.000	1	119.6240	0.000	1	118.1154	5.122	8	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]N[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]N[6]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.2240	0.000	1	118.2240	0.000	1	118.2240	0.000	1	118.1154	5.122	8	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:2:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-2:	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6])	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a])	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]){2|H<1>,3|C<3>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]){1|H<1>,4|C<3>}	121.1100	0.000	2	121.1100	0.000	2	121.1100	0.000	2	118.1154	5.122	8	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	121.6300	0.000	1	121.6300	0.000	1	121.6300	0.000	1	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	117.3830	0.000	1	117.3830	0.000	1	117.3830	0.000	1	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6]){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){1|N<3>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	119.1850	0.000	1	119.6707	0.116	4	119.6707	0.116	4	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6]){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){1|N<3>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	119.9070	0.000	2	119.6707	0.116	4	119.6707	0.116	4	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6]){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){2|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	119.6840	0.000	1	119.6707	0.116	4	119.6707	0.116	4	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6,6a]H)(N[6]C[6,6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6,6a]H)(N[6]C[6,6a]){1|Cu<3>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]N[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	118.4290	0.000	1	118.4290	0.000	1	118.4290	0.000	1	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])2(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]){1|Cu<3>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])2(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	120.3330	0.000	1	120.3330	0.000	1	120.1640	0.057	2	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	119.9950	0.000	1	119.9950	0.000	1	120.1640	0.057	2	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(F){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N){1|C<4>,1|F<1>,2|C<3>}	121.2240	0.000	1	121.2240	0.000	1	119.4830	2.274	3	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(F)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]){1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(F){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N){1|C<4>,1|F<1>,2|C<3>}	118.6125	0.026	2	118.6125	0.001	2	119.4830	2.274	3	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	B[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]B[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](B[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]B[6,6a]){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>}	N[6](B[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	120.4210	0.000	1	120.4210	0.000	1	120.4210	0.000	1	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	117.9920	0.000	1	117.9920	0.000	1	117.3360	0.861	2	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5,6]C[5,6,6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5,6]C[5,6,6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|Br<1>,1|H<1>,1|N<3>,4|C<3>}	116.6800	0.000	1	116.6800	0.000	1	117.3360	0.861	2	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5a,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5a,6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	117.8160	0.000	1	117.8160	0.000	1	116.7428	0.628	4	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5a,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5a,6]){1|Cu<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	116.6120	0.000	1	116.6120	0.000	1	116.7428	0.628	4	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5a,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5a,6]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	116.2715	0.521	2	116.2715	0.272	2	116.7428	0.628	4	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	117.8550	0.000	1	117.8550	0.000	1	118.3207	1.163	6	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	117.5880	0.000	1	117.5880	0.000	1	118.3207	1.163	6	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	117.7680	0.000	1	117.7680	0.000	1	118.3207	1.163	6	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6]C[6,6a]C[3x6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	N[6](C[6,6]C[6,6a]C[3x6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	118.5720	0.000	1	118.5720	0.000	1	118.3207	1.163	6	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.4060	0.000	1	120.4060	0.000	1	118.3207	1.163	6	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|I<1>,1|S<4>,2|C<3>}	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	117.7350	0.000	1	117.7350	0.000	1	118.3207	1.163	6	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[4,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[4,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[4,6]N[4,6]C[4])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[4,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[4,6]N[4,6]C[4]){1|C<4>,1|H<1>,5|C<3>}	117.8060	0.000	1	117.8060	0.000	1	117.8060	0.000	1	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]){1|H<1>,3|C<4>,4|C<3>}	116.7600	0.000	1	116.7600	0.000	1	117.5985	0.897	21	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	118.2665	0.066	2	118.5130	0.184	3	117.5985	0.897	21	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){1|H<1>,3|C<4>,4|C<3>}	119.0060	0.000	1	118.5130	0.184	3	117.5985	0.897	21	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	117.0650	0.024	2	117.0650	0.001	2	117.5985	0.897	21	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){2|C<4>,3|C<3>,3|H<1>}	118.8330	0.000	1	118.0066	0.324	7	117.5985	0.897	21	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	117.3530	0.000	1	118.0066	0.324	7	117.5985	0.897	21	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){2|C<3>,2|H<1>,4|C<4>}	118.3760	0.000	1	118.0066	0.324	7	117.5985	0.897	21	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){2|C<3>,3|C<4>,3|H<1>}	118.2635	0.047	2	118.0066	0.324	7	117.5985	0.897	21	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	117.4785	0.063	2	118.0066	0.324	7	117.5985	0.897	21	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]S[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]S[5]){1|C<4>,1|H<1>,4|C<3>}	118.4250	0.076	2	118.3003	0.050	3	117.5985	0.897	21	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]S[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|S<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]S[5]){1|H<1>,2|C<4>,3|C<3>}	118.0510	0.000	1	118.3003	0.050	3	117.5985	0.897	21	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	117.6530	0.000	1	117.0955	0.622	2	117.5985	0.897	21	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	116.5380	0.000	1	117.0955	0.622	2	117.5985	0.897	21	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5]){1|H<1>,1|N<3>,5|C<3>}	116.0007	0.399	3	116.0007	0.159	3	117.5985	0.897	21	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]C[6])	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]C[6]){1|C<4>,2|H<1>,4|C<3>}	116.6505	0.832	2	116.6505	0.693	2	117.5326	4.396	16	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|Cl<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,2|H<1>,4|C<3>}	113.3920	0.450	2	113.3920	0.202	2	117.5326	4.396	16	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6]){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	118.2220	0.000	1	118.2220	0.000	1	117.5326	4.396	16	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	117.3320	0.000	1	117.3320	0.000	1	117.5326	4.396	16	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){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]){2|C<4>,3|C<3>,3|H<1>}	119.0240	0.000	1	118.6925	0.220	2	117.5326	4.396	16	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]){1|H<1>,2|C<4>,4|C<3>}	118.3610	0.000	1	118.6925	0.220	2	117.5326	4.396	16	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){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]){1|H<1>,1|N<3>,4|C<3>}	119.8580	0.000	1	119.8580	0.000	1	117.5326	4.396	16	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){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]N[6]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	118.1320	0.000	1	118.1320	0.000	1	117.5326	4.396	16	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	119.7680	0.000	1	119.7680	0.000	1	117.5326	4.396	16	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|O<2>,2|H<1>,4|C<3>}	119.6140	0.000	1	119.6140	0.000	1	117.5326	4.396	16	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	120.1790	0.000	1	120.1790	0.000	1	117.5326	4.396	16	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|S<2>,2|H<1>,4|C<3>}	115.9290	0.000	1	115.9290	0.000	1	117.5326	4.396	16	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	117.5350	0.000	1	117.5350	0.000	1	117.5326	4.396	16	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]){1|S<4>,2|H<1>,4|C<3>}	116.4820	0.000	1	116.4820	0.000	1	117.5326	4.396	16	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	118.4100	0.000	1	118.4100	0.000	1	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|Re<6>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	118.9020	0.634	2	118.9020	0.401	2	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|O<1>,2|C<3>,3|N<3>}	119.7430	0.789	4	119.7430	0.622	4	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	118.3762	0.326	4	119.5101	0.869	66	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|Cu<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	119.8875	0.217	2	119.5101	0.869	66	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|Cu<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	119.5935	0.637	2	119.5101	0.869	66	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	123.0620	0.000	1	119.5101	0.869	66	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	118.3610	0.250	2	119.5101	0.869	66	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	118.7954	0.323	18	119.5101	0.869	66	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	119.2030	0.000	1	119.5101	0.869	66	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	118.9735	0.315	2	119.5101	0.869	66	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	119.9986	0.677	34	119.5101	0.869	66	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	118.4060	0.000	1	118.4060	0.000	1	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	121.2280	0.000	1	121.2280	0.000	1	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	118.8660	0.000	1	119.3511	0.264	18	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	119.4877	0.482	3	119.3511	0.264	18	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	119.2533	0.387	13	119.3511	0.264	18	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	120.6980	0.000	1	119.3511	0.264	18	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	120.5725	0.319	2	120.5725	0.102	2	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	118.1980	0.000	1	118.1980	0.000	1	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	120.9490	0.000	1	120.9280	0.099	3	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	120.9175	0.445	2	120.9280	0.099	3	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	120.8250	0.000	1	120.8250	0.000	1	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	116.5760	0.209	2	116.5760	0.044	2	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	121.5595	0.015	2	118.6866	2.420	12	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	118.1120	0.870	10	118.6866	2.420	12	119.3961	1.174	114	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C){1|C<4>,1|H<1>,3|C<3>}	118.1610	0.000	1	118.1610	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]){1|C<4>,1|H<1>,5|C<3>}	118.3170	0.000	1	118.0657	0.127	3	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	117.9400	0.400	2	118.0657	0.127	3	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.9840	0.000	1	117.9840	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.6885	0.134	2	118.6885	0.018	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|H<1>,2|C<3>,2|C<4>}	117.9750	0.000	1	117.9750	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N){1|H<1>,4|C<3>}	118.2150	0.000	1	118.2260	0.000	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N){1|H<1>,1|N<2>,3|C<3>}	118.2370	0.000	1	118.2260	0.000	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C){1|C<4>,1|H<1>,3|C<3>}	118.4030	0.000	1	118.4030	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[3])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[3]){2|H<1>,3|C<3>,3|C<4>}	118.6280	0.000	1	118.6280	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]N)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]N){1|C<4>,1|H<1>,3|C<3>}	119.3140	0.000	1	119.3140	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C){1|C<4>,1|H<1>,2|C<3>}	118.2860	0.000	1	118.2860	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,4|C<3>}	117.9380	0.000	1	117.9380	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	118.1870	0.440	2	118.1870	0.193	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C){1|H<1>,3|C<3>}	115.6200	0.000	1	115.6200	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|Pd<4>,1|H<1>,3|C<3>}	117.7510	0.243	2	117.7510	0.059	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	117.9570	0.000	1	117.9570	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]S[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|S<1>,1|S<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]S[6]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	114.5350	0.000	1	114.5350	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]){1|H<1>,5|C<3>}	119.0700	0.000	1	119.6573	0.628	3	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]){1|Ir<6>,1|H<1>,1|S<2>,4|C<3>}	119.9510	0.860	2	119.6573	0.628	3	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	116.2075	0.021	2	116.2075	0.000	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|Co<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.9835	0.084	2	118.8629	0.063	9	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|Fe<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	119.0170	0.000	1	118.8629	0.063	9	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|Ni<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.8950	0.310	4	118.8629	0.063	9	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|H<1>,1|N<3>,4|C<3>}	118.6810	0.000	1	118.8629	0.063	9	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,1|N<3>,4|C<3>}	118.5210	0.000	1	118.8629	0.063	9	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	119.1220	0.000	1	120.1800	1.003	3	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	120.7090	0.571	2	120.1800	1.003	3	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,5|C<3>}	117.8670	0.000	1	117.5477	0.173	3	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|S<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,2|C<4>,3|C<3>}	117.3880	0.440	2	117.5477	0.173	3	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|O<1>,5|C<3>}	116.7630	0.000	1	116.7630	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	119.1885	0.206	2	118.7269	0.372	19	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	118.6030	0.218	2	118.7269	0.372	19	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Er<14>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|Er<14>,1|C<4>,1|H<1>,4|C<3>}	118.5560	0.000	2	118.7269	0.372	19	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,6|C<3>}	118.4592	0.030	4	118.7269	0.372	19	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	118.2740	0.000	1	118.7269	0.372	19	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	117.6420	0.000	1	118.7269	0.372	19	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	118.7000	0.389	2	118.7269	0.372	19	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	120.1080	0.000	1	118.7269	0.372	19	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,6|C<3>}	118.2380	0.001	2	118.7269	0.372	19	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	119.6900	0.182	2	118.7269	0.372	19	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	118.7760	0.000	1	118.2022	0.854	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	119.2100	0.000	1	118.2022	0.854	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|H<1>,5|C<3>}	119.2590	0.000	1	118.2022	0.854	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	118.1790	0.535	2	118.2022	0.854	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|H<1>,5|C<3>}	117.4100	0.000	1	118.2022	0.854	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|H<1>,5|C<3>}	117.7648	0.886	9	118.2022	0.854	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	119.2980	0.000	1	118.2022	0.854	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	119.2440	0.000	1	118.2022	0.854	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5]N[6]){1|H<1>,2|C<4>,4|C<3>}	119.0510	0.000	1	119.0510	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,4|C<3>}	118.2140	0.000	1	117.9921	0.774	11	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,4|C<3>}	118.0120	0.148	2	117.9921	0.774	11	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|N<3>,3|C<3>}	116.9010	0.000	2	117.9921	0.774	11	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){2|H<1>,3|C<3>}	117.9270	0.000	1	117.9921	0.774	11	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|O<1>,3|C<3>}	119.3570	0.000	1	117.9921	0.774	11	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,3|C<3>}	118.3730	0.000	1	117.9921	0.774	11	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,4|C<3>}	116.6390	0.000	1	117.9921	0.774	11	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|Pd<4>,1|H<1>,3|C<3>}	119.0830	0.000	1	117.9921	0.774	11	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	118.4940	0.000	1	117.9921	0.774	11	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Cl){1|H<1>,4|C<3>}	117.7680	0.000	1	117.7680	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	119.2050	0.000	1	118.4488	0.875	29	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	118.6255	0.497	2	118.4488	0.875	29	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	118.6660	0.000	1	118.4488	0.875	29	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	118.5790	0.000	1	118.4488	0.875	29	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|H<1>,1|O<1>,3|C<3>}	119.4520	0.000	1	118.4488	0.875	29	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|Ir<6>,1|H<1>,3|C<3>}	118.2313	1.073	18	118.4488	0.875	29	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|Ir<7>,1|H<1>,3|C<3>}	119.0455	0.811	2	118.4488	0.875	29	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|Pt<4>,1|H<1>,3|C<3>}	117.9490	0.000	1	118.4488	0.875	29	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ru<5>,1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|Ru<5>,1|H<1>,3|C<3>}	118.8290	0.444	2	118.4488	0.875	29	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Mo)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Mo<7>,1|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Mo){1|H<1>,3|C<3>}	119.5030	0.337	2	119.5030	0.113	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|H<1>,1|N<2>,3|C<3>}	119.8035	0.080	2	119.8035	0.006	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C){1|C<4>,1|H<1>,2|C<3>}	118.4540	0.816	2	118.4540	0.666	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N){1|H<1>,3|C<3>}	115.5010	0.000	1	114.8085	0.959	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N){1|H<1>,3|C<3>}	114.1160	0.000	1	114.8085	0.959	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|H<1>,3|C<3>}	116.8450	0.000	1	116.8450	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	117.0255	0.070	2	117.3310	0.282	3	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	117.9420	0.000	1	117.3310	0.282	3	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.4420	0.000	1	118.4420	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	119.6370	0.000	1	119.6370	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ru<9>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	119.0160	0.000	1	119.0160	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>}	120.0630	0.000	1	120.0630	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ir<6>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]F)(H){1|F<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<3>,5|C<3>}	118.5335	0.050	2	118.5335	0.003	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	119.6565	0.086	2	119.6565	0.007	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	118.8335	0.083	4	118.9622	0.055	9	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){2|H<1>,2|N<3>,3|C<3>}	119.1230	0.000	1	118.9622	0.055	9	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.0507	0.315	4	118.9622	0.055	9	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.1320	0.000	1	119.0662	0.507	16	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	119.6810	0.000	1	119.0662	0.507	16	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.4130	0.000	1	119.0662	0.507	16	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.7953	0.229	3	119.0662	0.507	16	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	118.6536	0.569	8	119.0662	0.507	16	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|C<3>,2|H<1>}	118.1670	0.000	1	119.0662	0.507	16	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|C<3>,2|H<1>}	120.0520	0.000	1	119.0662	0.507	16	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Co<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	119.6120	0.000	1	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	121.2470	0.000	1	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	119.3780	0.638	2	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	118.8580	0.508	2	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<6>,1|C<3>,1|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|Cu<6>,1|H<1>,2|C<3>,2|N<3>}	119.4560	0.000	1	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ir<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	118.3510	0.000	1	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ni<5>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	119.7920	0.000	1	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ni<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	119.4180	0.150	2	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	119.1905	0.363	2	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	120.5710	0.000	1	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Os<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	115.8500	0.000	1	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Os<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	117.8230	0.000	1	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Pt<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	118.6410	0.184	2	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Re<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	118.6190	0.000	1	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Re<6>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>}	118.6760	0.167	5	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	120.2455	0.132	2	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	120.3440	0.000	1	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	119.2520	0.000	1	119.1342	1.022	28	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	120.1195	0.933	2	120.1195	0.870	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Zn<6>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>}	119.6290	0.000	1	119.6290	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	120.6860	0.000	1	119.5035	0.516	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<3>,6|C<3>}	119.6320	0.000	1	119.5035	0.516	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	120.4190	0.000	1	119.5035	0.516	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	118.9240	0.000	1	119.5035	0.516	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	118.7800	0.000	1	119.5035	0.516	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ir<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<3>,5|C<3>}	119.0212	0.436	6	119.5035	0.516	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	119.6000	0.000	1	119.5035	0.516	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Re<6>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	120.8370	0.000	1	119.5035	0.516	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<3>,5|C<3>}	119.6388	0.560	4	119.5035	0.516	17	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	119.5650	0.000	1	119.6736	0.399	19	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	119.6610	0.000	1	119.6736	0.399	19	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	120.1810	0.000	1	119.6736	0.399	19	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	119.7066	0.750	11	119.6736	0.399	19	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	119.5236	0.540	5	119.6736	0.399	19	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>}	120.2860	0.000	1	120.0070	0.142	6	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>}	119.9510	0.453	4	120.0070	0.142	6	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>}	119.9520	0.000	1	120.0070	0.142	6	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){2|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){1|H<1>,2|N<3>,4|C<3>}	118.1695	0.110	2	118.1695	0.012	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.5680	0.000	1	118.5680	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ru<5>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.1060	0.000	1	118.1060	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|H<1>,3|C<3>}	121.1360	0.000	1	121.1360	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	119.3730	0.000	1	119.3730	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|O<2>,3|H<1>,4|C<3>}	119.9350	0.000	1	119.9350	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){2|C<3>,2|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|S<4>,2|C<3>}	119.3480	0.000	1	119.3480	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,2|O<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){2|C<3>,2|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|H<1>,1|S<4>,2|C<3>}	120.7040	0.000	1	120.7040	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|S<2>,3|C<3>}	117.2010	0.000	1	117.2010	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	117.2370	0.000	1	117.2370	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|S<2>,4|C<3>}	119.5720	0.000	1	119.5720	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H){1|H<1>,1|N<3>,3|C<3>}	118.7960	0.000	1	118.7960	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a])	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]){1|H<1>,2|N<3>,4|C<3>}	119.4800	0.000	1	119.4800	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H){1|H<1>,1|N<3>,3|C<3>}	116.9145	0.168	2	116.9145	0.028	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C){1|H<1>,1|N<3>,3|C<3>}	118.3305	0.063	2	118.3305	0.004	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]){1|H<1>,1|N<3>,5|C<3>}	118.0600	0.291	2	118.0600	0.085	2	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H){1|H<1>,1|N<3>,3|C<3>}	118.3435	0.016	2	118.3120	0.003	3	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H){1|H<1>,1|N<3>,3|C<3>}	118.2490	0.000	1	118.3120	0.003	3	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,1|N<3>,3|C<3>}	118.6360	0.000	1	118.6360	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.7870	0.000	1	117.7870	0.000	1	118.7455	1.201	264	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6,6a]){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	118.0260	0.000	1	118.0260	0.000	1	118.0260	0.000	1	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]){1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O){1|H<1>,4|C<3>}	115.5150	0.000	1	115.5150	0.000	1	115.5150	0.000	1	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	116.6570	0.000	1	116.6570	0.000	1	116.6570	0.000	1	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|N<3>}	120.3080	0.474	2	120.3080	0.224	2	120.3080	0.224	2	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|O<1>,2|C<3>,3|N<3>}	118.0225	0.106	4	118.0225	0.011	4	118.0225	0.011	4	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]N[6])(H){1|N<2>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	120.0100	0.000	1	120.0100	0.000	1	120.0100	0.000	1	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|Ir<6>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	118.3030	0.000	1	118.3030	0.000	1	119.7922	2.269	5	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|Pt<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(H){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	118.0240	0.000	1	118.0240	0.000	1	119.7922	2.269	5	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H){1|N<2>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,5|C<3>}	120.6220	0.000	1	120.8780	0.098	3	119.7922	2.269	5	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H){3|C<3>,3|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,5|C<3>}	120.7860	0.000	1	120.8780	0.098	3	119.7922	2.269	5	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H){2|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	121.2260	0.000	1	120.8780	0.098	3	119.7922	2.269	5	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H){1|N<2>,2|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6]){1|H<1>,1|N<2>,5|C<3>}	119.4600	0.000	1	119.2115	0.124	2	119.2115	0.124	2	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(H){1|N<3>,2|C<3>,3|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6]){1|H<1>,1|N<2>,5|C<3>}	118.9630	0.000	1	119.2115	0.124	2	119.2115	0.124	2	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6,6]N[6,6]C[6]){1|Ge<3>,2|H<1>,4|C<3>}	116.9375	0.490	2	117.0357	0.149	3	117.0357	0.149	3	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-3:	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6,6]N[6,6]C[6]){1|Ge<3>,2|H<1>,4|C<3>}	117.2320	0.000	1	117.0357	0.149	3	117.0357	0.149	3	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](N[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])	C[6,6a](N[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	121.5540	0.000	1	121.5540	0.000	1	121.5540	0.000	1	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]C)(H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H){1|H<1>,4|C<3>}	119.5470	0.000	1	119.5470	0.000	1	119.4120	0.036	2	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:3:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H){1|H<1>,4|C<3>}	119.2770	0.000	1	119.2770	0.000	1	119.4120	0.036	2	118.8072	1.609	464	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[5a,6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	116.8410	0.000	1	116.8410	0.000	1	119.6012	5.441	4	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	122.5360	0.000	1	122.5360	0.000	1	119.6012	5.441	4	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Mo)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|Mo<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Mo){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	119.5140	0.274	2	119.5140	0.075	2	119.6012	5.441	4	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	119.3610	0.000	1	119.3610	0.000	1	121.1048	2.547	11	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	118.4420	0.000	1	118.4420	0.000	1	121.1048	2.547	11	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	122.8730	0.000	1	121.6220	3.130	2	121.1048	2.547	11	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	120.3710	0.000	1	121.6220	3.130	2	121.1048	2.547	11	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC){1|H<1>,3|C<3>}	122.6640	0.000	3	122.6167	0.009	4	121.1048	2.547	11	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC){1|H<1>,4|C<3>}	122.4750	0.000	1	122.6167	0.009	4	121.1048	2.547	11	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,3|H<1>,4|C<3>}	120.0060	0.000	1	120.0060	0.000	1	121.1048	2.547	11	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|N<2>,2|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,2|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<3>}	120.1600	0.000	1	120.3165	0.049	2	121.1048	2.547	11	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|N<3>,2|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,2|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|S<4>,2|C<3>,2|H<1>}	120.4730	0.000	1	120.3165	0.049	2	121.1048	2.547	11	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO){1|H<1>,4|C<3>}	116.8230	0.000	1	116.8230	0.000	1	115.9557	0.549	8	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|I<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO){1|H<1>,4|C<3>}	116.5080	0.000	1	116.5080	0.000	1	115.9557	0.549	8	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|C<4>,3|H<1>,4|C<3>}	115.0560	0.000	1	115.7192	0.490	6	115.9557	0.549	8	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|C<4>,3|H<1>,4|C<3>}	115.8518	0.693	5	115.7192	0.490	6	115.9557	0.549	8	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:1:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]I)(N[6]S[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]I)(N[6]S[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I){1|I<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO){1|I<1>,4|C<3>}	118.4840	0.000	1	118.4840	0.000	1	118.4840	0.000	1	119.0287	7.400	24	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6,6a]){2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	121.4920	0.000	1	121.4920	0.000	1	121.4920	0.000	1	119.4790	3.927	4	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C){1|C<4>,2|C<3>,3|O<2>}	117.6520	0.000	1	117.6520	0.000	1	118.8080	3.190	3	119.4790	3.927	4	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|O<2>,4|C<3>}	117.9070	0.000	1	117.9070	0.000	1	118.8080	3.190	3	119.4790	3.927	4	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OS)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]N)(OS){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|N<3>,1|O<2>,2|C<3>}	120.8650	0.000	1	120.8650	0.000	1	118.8080	3.190	3	119.4790	3.927	4	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC){1|C<3>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	114.7400	0.000	1	114.7400	0.000	1	116.1257	1.734	3	116.1257	1.734	3	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OH){1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|H<1>,1|O<2>,5|C<3>}	116.2760	0.000	1	116.2760	0.000	1	116.1257	1.734	3	116.1257	1.734	3	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OP)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OP){1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|H<1>,1|O<2>,5|C<3>}	117.3610	0.000	1	117.3610	0.000	1	116.1257	1.734	3	116.1257	1.734	3	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<2>,1|H<1>,3|C<3>}	118.9090	0.000	1	118.9090	0.000	1	118.9090	0.000	1	120.0038	1.422	5	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CHO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CHO){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|O<2>,4|C<3>}	119.0060	0.000	1	119.0060	0.000	1	119.0060	0.000	1	120.0038	1.422	5	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,6|C<3>}	119.6880	0.000	1	119.6880	0.000	1	119.6880	0.000	1	120.0038	1.422	5	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6]){1|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]N[6]){2|N<2>,2|N<3>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|N<3>,5|C<3>}	121.2080	0.701	2	121.2080	0.492	2	121.2080	0.492	2	120.0038	1.422	5	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]){4|C<3>,4|C<4>}	118.7060	0.000	1	118.7060	0.000	1	118.7060	0.000	1	118.8761	1.915	8	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|I<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	117.7010	0.000	1	117.7010	0.000	1	118.9004	2.229	7	118.8761	1.915	8	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|C<4>,6|C<3>}	117.9650	0.000	1	117.9650	0.000	1	118.9004	2.229	7	118.8761	1.915	8	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]F)(CF3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|F<1>,1|N<2>,1|O<1>,2|C<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]F)(CF3){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	121.3540	0.000	1	121.3540	0.000	1	118.9004	2.229	7	118.8761	1.915	8	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CCCH){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.4620	0.200	3	119.4620	0.040	3	118.9004	2.229	7	118.8761	1.915	8	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]){1|Os<5>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.8970	0.000	1	116.8970	0.000	1	118.9004	2.229	7	118.8761	1.915	8	118.7897	2.035	519	118.8258	2.016	562
643	643	914	0:SP2_SP2_SP2	C[6,6a]	C[6a]	N[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]S[6])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]S[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|H<1>,3|C<4>,4|C<3>}	115.4637	0.200	3	115.4637	0.040	3	115.4637	0.040	3	115.4637	0.040	3	118.7897	2.035	519	118.8258	2.016	562
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6,6a]-3:C[6a]-3:N[6]-2:	N[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6,6a](N[6,6]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6,6a](N[6,6]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	120.6790	0.000	1	120.6790	0.000	1	120.6790	0.000	1	120.6790	0.000	1	120.6790	0.000	1	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a,6a]	N[6]	3:2:2:	3:3:3:	3:3:	C[6,6a,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6])	C[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2)	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]){2|H<1>,2|N<2>,2|N<3>}	C[6,6a,6a](C[6,6a]N[6a]N[6])2(C[6a,6a]N[6a]2){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H){1|H<1>,3|C<3>}	120.6880	0.000	1	120.6880	0.000	1	120.6880	0.000	1	120.6880	0.000	1	120.6880	0.000	1	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:2:	3:2:2:	3:3:	C[6,6a]-3:N[6]-2:N[6a]-2:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(S[6]C[6,6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6])(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(S[6]C[6,6]){1|Cl<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]N[6]){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	125.4010	0.000	1	125.4010	0.000	1	125.4010	0.000	1	125.4010	0.000	1	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:2:	3:2:3:	3:3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]){1|C<2>,1|C<3>,1|N<2>,2|O<1>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a])(C[6]N[6]O){1|C<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]O){1|N<2>,2|C<3>}	124.8910	0.000	1	124.8910	0.000	1	124.8910	0.000	1	124.8910	0.000	1	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:2:	3:3:2:	3:3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(N[6]N[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])	N[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(N[6a]C[6a,6a])(N[6]N[6]){1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]N[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]O){1|N<2>,3|C<3>}	123.4030	0.296	2	123.4030	0.087	2	123.4030	0.087	2	123.4030	0.087	2	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:2:	3:3:3:	3:3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]){5|C<3>}	123.2530	0.000	1	123.2530	0.000	1	123.2530	0.000	1	121.3300	7.396	2	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:2:2:	3:3:3:	3:3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Ni)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(N[6]C[6]){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Ni){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	119.4070	0.000	1	119.4070	0.000	1	119.4070	0.000	1	121.3300	7.396	2	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:2:3:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[5a,6a]H)(N[6]C[5a,6])	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[5a,6a])(N[6]C[5a,6]H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[5a,6a]H)(N[6]C[5a,6]){1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[5a,6a])(N[6]C[5a,6]H){1|H<1>,2|C<3>,2|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	123.3540	0.000	1	123.3540	0.000	1	123.3540	0.000	1	123.3540	0.000	1	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:Se[6]-2:	C[6,6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]F)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(Se[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6])	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]F)(N[6]S[6]){1|C<3>,1|N<2>,2|F<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]F)(Se[6]N[6]){1|C<3>,1|F<1>,1|H<1>,1|S<2>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]){1|Se<2>,1|F<1>,2|C<3>}	125.9770	0.447	4	125.9770	0.199	4	125.9770	0.199	4	125.9770	0.199	4	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	122.2050	0.057	2	122.2050	0.003	2	122.2050	0.003	2	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[6])(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[6])(N[6a]C[6a]){1|Co<6>,1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	125.3330	0.000	1	125.3330	0.000	1	125.3330	0.000	1	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<2>,1|H<1>,3|C<3>}	121.9600	0.000	1	121.9600	0.000	1	121.9600	0.000	1	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6,6a]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	118.1680	0.000	1	118.1680	0.000	1	118.1680	0.000	1	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6]){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,5|C<3>}	119.4750	0.000	1	119.3115	0.053	2	119.3115	0.053	2	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6]){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,5|C<3>}	119.1480	0.000	1	119.3115	0.053	2	119.3115	0.053	2	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	123.6630	0.000	1	123.6630	0.000	1	123.6630	0.000	1	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6]){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|H<1>,2|C<3>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6]){1|H<1>,1|N<2>,5|C<3>}	121.3820	0.000	1	121.3650	0.001	2	121.3650	0.001	2	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]N[6]){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6]){1|H<1>,1|N<2>,5|C<3>}	121.3480	0.000	1	121.3650	0.001	2	121.3650	0.001	2	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	N[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.7130	0.000	1	120.7130	0.000	1	120.7130	0.000	1	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	121.3100	0.000	1	121.5775	0.143	2	121.6977	0.115	3	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|O<2>,2|H<1>,4|C<3>}	121.8450	0.000	1	121.5775	0.143	2	121.6977	0.115	3	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	121.9380	0.000	1	121.9380	0.000	1	121.6977	0.115	3	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(O[6]C[6,6a]){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	123.7590	0.000	1	123.7590	0.000	1	122.7071	0.646	7	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	123.3900	0.000	1	123.3900	0.000	1	122.7071	0.646	7	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	123.1860	0.000	1	123.1860	0.000	1	122.7071	0.646	7	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	122.5395	0.353	2	122.3677	0.151	3	122.7071	0.646	7	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	122.0240	0.000	1	122.3677	0.151	3	122.7071	0.646	7	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	121.5120	0.000	1	121.5120	0.000	1	122.7071	0.646	7	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|O<2>,4|C<3>}	121.1330	0.000	1	121.1330	0.000	1	120.9465	1.218	4	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|H<1>,3|C<3>}	119.3540	0.000	1	119.3540	0.000	1	120.9465	1.218	4	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	121.8680	0.000	1	121.8680	0.000	1	120.9465	1.218	4	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|O<2>,3|H<1>,4|C<3>}	121.4310	0.000	1	121.4310	0.000	1	120.9465	1.218	4	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5a,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5a,6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5a,6]){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[5a,6]){2|H<1>,3|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	126.0415	0.555	2	126.0415	0.308	2	126.0415	0.308	2	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|S<2>,2|H<1>,4|C<3>}	125.3910	0.000	1	125.3910	0.000	1	124.9590	0.373	2	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	124.5270	0.000	1	124.5270	0.000	1	124.9590	0.373	2	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	125.9150	0.301	2	125.9150	0.091	2	125.1704	5.705	14	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	126.0487	1.178	10	125.0463	6.617	12	125.1704	5.705	14	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	120.0340	0.083	2	125.0463	6.617	12	125.1704	5.705	14	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|S<2>,3|C<3>}	124.6830	0.000	1	124.6830	0.000	1	123.5757	4.868	3	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	125.0090	0.000	1	125.0090	0.000	1	123.5757	4.868	3	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|S<2>,4|C<3>}	121.0350	0.000	1	121.0350	0.000	1	123.5757	4.868	3	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|N<3>}	121.1800	0.412	2	121.1800	0.169	2	121.1800	0.169	2	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6,6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]C[6,6a]){1|C<4>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	127.9960	0.007	2	127.9960	0.000	2	127.9960	0.000	2	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]N[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6]){1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[5,6a]H)(S[6]N[6]){1|C<4>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]){1|C<4>,1|S<2>,4|C<3>}	125.8350	0.000	2	125.8350	0.000	2	125.8350	0.000	2	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	120.9830	0.000	1	120.9830	0.000	1	120.9830	0.000	1	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	123.3470	0.000	1	123.3470	0.000	1	123.3470	0.000	1	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C)(O[6]C[5,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]C)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	123.0170	0.000	1	123.0170	0.000	1	121.0551	0.425	13	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C){1|N<3>,1|O<2>,1|S<2>,3|C<3>}	120.8720	0.000	1	120.8720	0.000	1	121.0551	0.425	13	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	120.7010	0.300	3	120.8876	0.157	5	121.0551	0.425	13	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|N<3>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	121.1675	0.432	2	120.8876	0.157	5	121.0551	0.425	13	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	120.7680	0.234	3	120.8954	0.076	5	121.0551	0.425	13	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|N<3>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	121.0865	0.272	2	120.8954	0.076	5	121.0551	0.425	13	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	120.9120	0.000	1	120.9120	0.000	1	121.0551	0.425	13	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	120.3120	0.000	1	120.6600	0.242	2	121.0382	0.182	5	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6]){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C){1|N<3>,1|O<2>,1|S<2>,3|C<3>}	121.0080	0.000	1	120.6600	0.242	2	121.0382	0.182	5	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[5,6]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	121.3660	0.000	1	121.3660	0.000	1	121.0382	0.182	5	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]C[6]){1|N<2>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C){1|H<1>,1|O<2>,4|C<3>}	121.2525	0.013	2	121.2525	0.000	2	121.0382	0.182	5	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a]-3:N[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]N[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]B[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]N[6]){1|B<4>,1|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(O[6]B[6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6]){1|O<2>,2|F<1>,5|C<3>}	121.4020	0.000	1	121.4020	0.000	1	121.4020	0.000	1	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	N[5a,6a]-3:C[6,6a]-3:N[6]-2:	N[5a,6a]-3:C[6,6a]-3:C[6]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6])	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6])	N[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	N[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	122.4330	0.000	1	122.4330	0.000	1	122.4330	0.000	1	122.7789	5.862	74	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Mo)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|Mo<9>,1|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|Mo<9>,1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Mo){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	121.7645	0.247	2	121.7645	0.061	2	121.7645	0.061	2	121.7645	0.061	2	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<2>,1|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]){2|H<1>,3|C<3>}	120.9070	0.000	1	120.9070	0.000	1	120.9070	0.000	1	121.8038	1.576	4	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]N[6])	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]N[6]){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.6640	0.000	1	123.6640	0.000	1	123.6640	0.000	1	121.8038	1.576	4	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(N[6]N[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6a])(N[6]N[6]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]){1|N<3>,4|C<3>}	121.3220	0.000	2	121.3220	0.000	2	121.3220	0.000	2	121.8038	1.576	4	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(N[6]C[6])	C[6,6a](C[6,6a]C[5a,6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]N[6]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(N[6]C[6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,5|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]N[6]C){1|N<2>,1|N<3>,2|C<3>}	122.7310	0.000	1	122.7310	0.000	1	122.7310	0.000	1	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])2(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]N[6])2(N[6]C[6,6a]Re)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6])2(N[6]C[6,6a]){1|Re<6>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])2(N[6]C[6,6a]Re){1|N<2>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	121.8340	0.071	2	121.8340	0.005	2	121.8340	0.005	2	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]){1|C<4>,1|H<1>,5|C<3>}	123.0110	0.000	1	123.0110	0.000	1	123.0110	0.000	1	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N){1|H<1>,1|N<2>,3|C<3>}	123.2080	0.000	1	123.2080	0.000	1	123.2915	0.014	2	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N){1|H<1>,4|C<3>}	123.3750	0.000	1	123.3750	0.000	1	123.2915	0.014	2	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]Br){1|O<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,4|C<3>}	119.6960	0.000	1	119.6960	0.000	1	119.6960	0.000	1	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O){1|H<1>,4|C<3>}	124.1060	0.000	1	124.1060	0.000	1	124.1060	0.000	1	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	B[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]B[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](B[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]B[6,6a]){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	N[6](B[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	120.0930	0.000	1	120.0930	0.000	1	120.0930	0.000	1	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	125.0650	0.016	2	125.0650	0.000	2	124.2813	1.843	3	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]S)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){2|C<4>,3|C<3>,3|H<1>}	122.7140	0.000	1	122.7140	0.000	1	124.2813	1.843	3	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]S)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]S)(C[6a]C[6a]H){1|C<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]){1|H<1>,2|C<4>,4|C<3>}	122.0820	0.000	1	122.0820	0.000	1	122.0820	0.000	1	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6a]N)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	121.6810	0.000	1	121.6810	0.000	1	121.6810	0.000	1	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5]O[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5]O[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|H<1>,5|C<3>}	121.6810	0.000	1	121.6810	0.000	1	121.7694	0.889	27	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|Zn<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,1|N<3>,4|C<3>}	121.9300	0.000	1	121.9300	0.000	1	121.7694	0.889	27	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|O<1>,3|C<3>}	120.8300	0.000	1	121.6520	0.430	4	121.7694	0.889	27	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|Pd<4>,1|H<1>,3|C<3>}	121.4190	0.000	1	121.6520	0.430	4	121.7694	0.889	27	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|Pd<4>,1|H<1>,3|C<3>}	122.1795	0.063	2	121.6520	0.430	4	121.7694	0.889	27	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|Ir<6>,1|H<1>,3|C<3>}	121.6732	1.094	17	121.7453	1.103	20	121.7694	0.889	27	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Ir<7>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|Ir<7>,1|H<1>,3|C<3>}	122.0045	1.044	2	121.7453	1.103	20	121.7694	0.889	27	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|Pt<4>,1|H<1>,3|C<3>}	122.4510	0.000	1	121.7453	1.103	20	121.7694	0.889	27	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|O<2>,4|C<3>}	122.6510	0.000	1	122.6510	0.000	1	121.7694	0.889	27	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]C)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|F<1>,1|N<2>,1|O<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]N[6a]C)(C[6]C[6]O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	119.8010	0.000	1	119.8010	0.000	1	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|H<1>,3|C<3>}	120.9450	0.000	1	120.9450	0.000	1	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,5|C<3>}	122.5550	0.000	1	122.5550	0.000	1	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|O<1>,5|C<3>}	124.4190	0.000	1	124.4190	0.000	1	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,3|C<3>}	120.8630	0.000	1	121.4810	0.764	2	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,4|C<3>}	122.0990	0.000	1	121.4810	0.764	2	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|H<1>,1|O<1>,3|C<3>}	120.7260	0.000	1	120.7260	0.000	1	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Ir<6>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]){1|Ir<6>,1|H<1>,1|S<2>,4|C<3>}	121.1990	0.740	2	121.1990	0.547	2	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Mo)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Mo<7>,1|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H){1|Mo<7>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Mo){1|H<1>,3|C<3>}	121.8675	0.136	2	121.8675	0.019	2	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|H<1>,1|N<2>,3|C<3>}	121.7395	0.274	2	121.7395	0.075	2	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Co<5>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|Co<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	121.3855	0.168	2	121.5704	0.078	7	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Fe<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|Fe<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	121.7910	0.297	2	121.5704	0.078	7	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){1|Ni<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|Ni<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	121.5467	0.305	3	121.5704	0.078	7	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,6|C<3>}	122.2175	0.110	4	122.2757	0.040	6	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,6|C<3>}	122.3920	0.349	2	122.2757	0.040	6	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5]N[6]){1|H<1>,2|C<4>,4|C<3>}	121.5720	0.000	1	121.5720	0.000	1	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,4|C<3>}	122.0810	0.000	1	122.6747	0.267	3	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,4|C<3>}	122.9715	0.073	2	122.6747	0.267	3	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]N){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Cl){1|H<1>,4|C<3>}	122.2570	0.000	1	122.2570	0.000	1	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]){1|H<1>,5|C<3>}	122.2880	0.000	1	122.2880	0.000	1	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|H<1>,1|N<3>,4|C<3>}	121.8690	0.000	1	121.8690	0.000	1	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]Ru)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ru<5>,1|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]Ru){1|Ru<5>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|Ru<5>,1|H<1>,3|C<3>}	121.0965	0.392	2	121.0965	0.154	2	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	123.1180	0.000	1	123.1180	0.000	1	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|N<3>,3|C<3>}	122.8550	0.000	2	122.8453	0.000	3	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]S){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){2|H<1>,3|C<3>}	122.8260	0.000	1	122.8453	0.000	3	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|H<1>,5|C<3>}	122.2670	0.000	1	121.9432	0.138	9	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]C){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|H<1>,5|C<3>}	121.9027	0.376	8	121.9432	0.138	9	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]N){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|H<1>,5|C<3>}	121.8050	0.000	1	121.8050	0.000	1	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C){1|H<1>,3|C<3>}	124.3890	0.000	1	124.3890	0.000	1	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]C){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N){1|H<1>,3|C<3>}	125.6250	0.000	1	125.6250	0.000	1	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]N){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N){1|H<1>,3|C<3>}	126.0850	0.000	1	126.0850	0.000	1	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]S[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|S<1>,1|S<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]S){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]S[6]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	126.6160	0.000	1	126.6160	0.000	1	122.2176	1.586	53	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|O<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	121.3600	0.000	1	121.3600	0.000	1	121.6320	0.148	2	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,4|C<3>}	121.9040	0.000	1	121.9040	0.000	1	121.6320	0.148	2	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6,6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6,6a]H)(N[6]C[6,6a]Cu)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6,6a]H)(N[6]C[6,6a]){1|Cu<3>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6,6a]H)(N[6]C[6,6a]Cu){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	123.1780	0.000	1	123.1780	0.000	1	122.2775	1.622	2	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]Cu)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]){1|Cu<3>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]Cu){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	121.3770	0.000	1	121.3770	0.000	1	122.2775	1.622	2	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6]){1|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	120.5520	0.000	1	120.7170	0.018	4	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6]){1|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	120.6620	0.000	1	120.7170	0.018	4	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6]){1|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|S<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	120.8270	0.000	2	120.7170	0.018	4	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]Ir)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|Ir<6>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]Ir){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	121.8040	0.000	1	121.8040	0.000	1	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]Pt)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|Pt<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]Pt){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	122.4100	0.000	1	122.4100	0.000	1	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	120.7030	0.000	1	120.7030	0.000	1	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[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]C[6a]C[6]){1|C<4>,1|N<3>,6|C<3>}	120.0380	0.000	1	120.0380	0.000	1	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]Os)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]){1|Os<5>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]Os){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.0700	0.000	1	122.0700	0.000	1	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]Os)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Os<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]Os){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	123.9910	0.000	1	124.8225	1.383	2	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]Os)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Os<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]Os){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	125.6540	0.000	1	124.8225	1.383	2	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	122.3187	0.015	4	121.7619	0.812	9	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){2|H<1>,2|N<3>,3|C<3>}	123.1530	0.000	1	121.7619	0.812	9	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8572	0.128	4	121.7619	0.812	9	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	121.5810	0.000	1	121.5810	0.000	1	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Co)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Co<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Co){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	121.2170	0.000	1	121.2170	0.000	1	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Cu){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){1|H<1>,2|N<3>,4|C<3>}	121.6495	0.159	2	121.6495	0.025	2	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Cu){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	121.1460	0.000	1	121.0661	0.346	7	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Cu){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	120.2160	0.000	1	121.0661	0.346	7	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Cu){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	121.2910	0.984	2	121.0661	0.346	7	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Cu){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	121.1945	0.489	2	121.0661	0.346	7	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Cu)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<6>,1|C<3>,1|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Cu){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|Cu<6>,1|H<1>,2|C<3>,2|N<3>}	121.1300	0.000	1	121.0661	0.346	7	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	121.5895	0.162	2	121.5895	0.026	2	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.5663	0.314	3	121.5457	0.067	4	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|C<3>,2|H<1>}	121.4840	0.000	1	121.5457	0.067	4	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	121.4770	0.000	1	121.1777	0.073	3	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	121.0280	0.107	2	121.1777	0.073	3	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	121.8020	0.222	2	121.8020	0.049	2	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	119.2260	0.000	1	120.7970	0.808	8	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	121.2430	0.000	1	120.7970	0.808	8	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<3>,6|C<3>}	120.2920	0.000	1	120.7970	0.808	8	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	119.8270	0.000	1	120.7970	0.808	8	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<3>,5|C<3>}	121.4470	0.187	4	120.7970	0.808	8	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ir){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	121.5496	0.360	8	121.5496	0.130	8	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ir<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ir){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	122.7190	0.000	1	122.7190	0.000	1	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ir<6>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ir){1|F<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<3>,5|C<3>}	121.5565	0.443	2	121.6244	0.072	8	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ir)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ir<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ir){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<3>,5|C<3>}	121.6470	0.242	6	121.6244	0.072	8	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ni)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ni<5>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ni){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	121.7700	0.000	1	121.4440	0.085	3	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ni)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ni<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ni){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	121.2810	0.099	2	121.4440	0.085	3	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.0970	0.000	1	122.6656	0.465	5	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.4770	0.000	1	122.6656	0.465	5	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.7790	0.000	1	122.6656	0.465	5	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.7750	0.000	1	122.6656	0.465	5	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	122.2000	0.000	1	122.6656	0.465	5	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	121.8000	0.000	1	122.7387	0.669	3	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	123.2080	0.127	2	122.7387	0.669	3	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Pt)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Pt<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Pt){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|C<3>,2|H<1>}	121.8200	0.000	1	121.8200	0.000	1	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Pt)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Pt<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Pt){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	123.4485	2.811	2	123.4485	7.900	2	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Pt)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Pt<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Pt){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	122.8390	0.000	1	122.8390	0.000	1	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Re)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Re<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Re){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>}	121.8996	0.205	5	121.9673	0.061	6	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Re)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Re<6>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Re){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	122.3060	0.000	1	121.9673	0.061	6	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Re)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Re<6>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Re){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	119.3650	0.000	1	119.3650	0.000	1	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ru)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ru<5>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ru){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.3150	0.000	1	121.3150	0.000	1	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ru)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ru<9>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Ru){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	121.7430	0.000	1	121.7430	0.000	1	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Zn)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Zn<6>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]Zn){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>}	121.7940	0.000	1	121.7940	0.000	1	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|N<3>,1|O<2>,2|C<3>}	121.8180	0.000	1	121.8180	0.000	1	121.6689	0.980	93	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H){1|H<1>,1|N<3>,3|C<3>}	121.9050	0.000	1	121.9050	0.000	1	121.9050	0.000	1	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C){1|H<1>,1|N<3>,3|C<3>}	122.2825	0.004	2	122.2825	0.000	2	122.4794	0.768	7	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]){1|H<1>,1|N<3>,5|C<3>}	122.2025	0.097	2	122.2025	0.009	2	122.4794	0.768	7	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H){1|H<1>,1|N<3>,3|C<3>}	121.9780	0.247	2	121.9780	0.061	2	122.4794	0.768	7	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H){1|H<1>,1|N<3>,3|C<3>}	124.4300	0.000	1	124.4300	0.000	1	122.4794	0.768	7	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5a,6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5a,6]C)(C[6a]C[6a]H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5a,6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.6650	0.000	1	123.6650	0.000	1	123.0905	0.660	2	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5a,6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5a,6]Cu)(C[6a]C[6a]H)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5a,6]){1|Cu<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5a,6]Cu)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	122.5160	0.000	1	122.5160	0.000	1	123.0905	0.660	2	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	122.7295	0.243	4	122.6290	0.142	8	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|O<1>,2|C<3>,3|N<3>}	122.5285	0.496	4	122.6290	0.142	8	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	117.5190	0.000	1	117.5190	0.000	1	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	123.0030	0.000	1	122.8122	0.146	38	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	122.9017	0.438	3	122.8122	0.146	38	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	122.8533	0.323	13	122.8122	0.146	38	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	123.0925	0.148	2	122.8122	0.146	38	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	122.9220	0.000	1	122.8122	0.146	38	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	122.7198	0.443	18	122.8122	0.146	38	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	122.0930	0.000	1	122.0930	0.000	1	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|Cu<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	122.3615	0.817	2	122.1668	0.471	4	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|Cu<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	121.9720	0.771	2	122.1668	0.471	4	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	120.2710	0.000	1	121.8443	0.332	35	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	121.8906	0.515	34	121.8443	0.332	35	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	121.5820	0.737	2	121.5820	0.543	2	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	123.0585	0.651	2	123.0585	0.424	2	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Re)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|Re<6>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Re)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	122.2875	0.537	2	122.2875	0.288	2	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6,6a]){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	119.0450	0.000	1	119.0450	0.000	1	122.2726	0.797	94	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.4553	0.098	3	121.4553	0.010	3	121.8408	0.290	30	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	121.5470	0.000	1	121.5470	0.000	1	121.8408	0.290	30	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	122.1750	0.000	1	122.0303	0.317	19	121.8408	0.290	30	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	122.1840	0.000	1	122.0303	0.317	19	121.8408	0.290	30	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	122.4096	0.397	5	122.0303	0.317	19	121.8408	0.290	30	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	122.4630	0.088	2	122.0303	0.317	19	121.8408	0.290	30	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	121.7000	0.000	1	122.0303	0.317	19	121.8408	0.290	30	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	121.7270	0.611	9	122.0303	0.317	19	121.8408	0.290	30	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>}	121.6480	0.000	1	121.5337	0.136	7	121.8408	0.290	30	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>}	121.8100	0.000	1	121.5337	0.136	7	121.8408	0.290	30	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>}	122.1090	0.000	1	121.5337	0.136	7	121.8408	0.290	30	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>}	121.2922	0.232	4	121.5337	0.136	7	121.8408	0.290	30	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|O<1>,2|C<3>,3|N<3>}	123.6265	0.591	4	123.6265	0.349	4	123.6265	0.349	4	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a])	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]B[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]){1|H<1>,2|N<3>,4|C<3>}	121.1320	0.000	1	121.1320	0.000	1	123.3860	3.822	3	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H){1|H<1>,1|N<3>,3|C<3>}	124.5130	0.154	2	124.5130	0.024	2	123.3860	3.822	3	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]N[5]){1|H<1>,1|N<3>,5|C<3>}	125.2307	0.600	3	125.2307	0.359	3	125.2307	0.359	3	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](N[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[5,6]C[5,6,6a]C[5])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]){2|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6](C[5,6]C[5,6,6a]C[5])(C[6,6a]C[6,6a]C[6a]){1|Br<1>,1|H<1>,1|N<3>,4|C<3>}	124.6110	0.000	1	124.6110	0.000	1	124.6110	0.000	1	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,1|N<3>,3|C<3>}	123.7830	0.000	1	123.7830	0.000	1	123.7830	0.000	1	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|H<1>,1|N<3>,3|O<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]C[6]O){1|C<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H){1|C<2>,1|C<4>,3|C<3>}	126.1050	0.000	1	126.1050	0.000	1	125.3680	1.086	2	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){2|O<1>,4|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]N[6]N){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N){1|C<4>,1|H<1>,3|C<3>}	124.6310	0.000	1	124.6310	0.000	1	125.3680	1.086	2	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Pd)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6]){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Pd){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.5030	0.000	1	124.5030	0.000	1	123.5000	2.012	2	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Re)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6]){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6]Re){2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>}	122.4970	0.000	1	122.4970	0.000	1	123.5000	2.012	2	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ir)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6,6a]C[6,6a]N[6])(N[6]C[6]Ir){1|H<1>,1|N<2>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.4740	0.000	1	121.4740	0.000	1	121.4740	0.000	1	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C){1|N<2>,3|C<3>}	122.5790	0.264	2	122.5790	0.070	2	122.5790	0.070	2	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]){1|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	122.4750	0.000	1	122.4750	0.000	1	122.0407	0.160	3	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]){2|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	121.8235	0.193	2	121.8235	0.037	2	122.0407	0.160	3	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]Ir)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]){1|Ir<6>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]Ir){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	120.9295	0.844	2	120.9295	0.712	2	120.7947	0.410	3	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]Ru)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]){1|Ru<6>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]Ru){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	120.5250	0.000	1	120.5250	0.000	1	120.7947	0.410	3	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6]){1|H<1>,2|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6]){1|N<3>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|N<3>,5|C<3>}	120.2405	0.284	2	120.2405	0.080	2	120.2405	0.080	2	122.1058	1.298	352	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|I<1>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO){1|H<1>,4|C<3>}	123.7920	0.000	1	123.6895	0.021	2	124.0063	0.312	3	121.3650	7.176	14	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO){1|H<1>,4|C<3>}	123.5870	0.000	1	123.6895	0.021	2	124.0063	0.312	3	121.3650	7.176	14	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]I)(N[6]S[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]I)(N[6]S[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,2|I<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]CO){1|I<1>,4|C<3>}	124.6400	0.000	1	124.6400	0.000	1	124.0063	0.312	3	121.3650	7.176	14	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	118.9730	0.000	1	118.9730	0.000	1	118.6342	0.218	5	121.3650	7.176	14	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC){1|H<1>,3|C<3>}	118.3030	0.000	3	118.5495	0.243	4	118.6342	0.218	5	121.3650	7.176	14	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC){1|H<1>,4|C<3>}	119.2890	0.000	1	118.5495	0.243	4	118.6342	0.218	5	121.3650	7.176	14	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]){1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|H<1>,1|O<2>,5|C<3>}	124.3630	0.752	2	124.3630	0.566	2	124.3630	0.566	2	121.3650	7.176	14	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.4090	0.000	1	119.4090	0.000	1	119.4090	0.000	1	121.3650	7.176	14	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,3|H<1>,4|C<3>}	122.0390	0.000	1	122.0390	0.000	1	122.0390	0.000	1	121.3650	7.176	14	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C){1|H<1>,2|N<2>,4|C<3>}	119.6110	0.000	1	119.6110	0.000	1	119.6110	0.000	1	121.3650	7.176	14	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O)(C[6]N[6]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]O[6a]O)(C[6]N[6]H){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H){1|C<4>,6|C<3>}	124.1350	0.000	1	124.1350	0.000	1	124.1350	0.000	1	121.3650	7.176	14	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	122.7770	0.000	1	122.7770	0.000	1	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|F<1>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N){1|C<4>,1|F<1>,2|C<3>}	119.4140	0.000	1	119.4140	0.000	1	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]){1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|F<1>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N){1|C<4>,1|F<1>,2|C<3>}	123.7195	0.397	2	123.7195	0.157	2	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	118.7355	0.218	2	118.7355	0.048	2	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	119.8990	0.000	1	119.8990	0.000	1	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|S<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,2|C<4>,3|C<3>}	122.1095	0.223	2	122.1095	0.050	2	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	123.3540	0.000	1	123.3540	0.000	1	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	121.5335	0.211	2	121.6347	0.053	4	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	121.7360	0.269	2	121.6347	0.053	4	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	122.2995	0.602	2	122.2995	0.362	2	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	121.3220	0.000	1	121.7597	0.211	4	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	122.1040	0.000	1	121.7597	0.211	4	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	121.8065	0.565	2	121.7597	0.211	4	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HN){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	121.4215	0.211	2	121.4215	0.045	2	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HP)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HP){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	122.4140	0.000	1	122.4140	0.000	1	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	122.0595	0.494	2	122.0595	0.244	2	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	122.1645	0.196	2	121.7560	0.275	4	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	121.5920	0.000	1	121.7560	0.275	4	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	121.1030	0.000	1	121.7560	0.275	4	121.6948	1.523	29	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|S<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	122.5010	0.000	1	122.5010	0.000	1	122.5010	0.000	1	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|S<4>,2|C<3>}	120.7230	0.000	1	120.7230	0.000	1	120.4370	0.164	2	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|H<1>,1|S<4>,2|C<3>}	120.1510	0.000	1	120.1510	0.000	1	120.4370	0.164	2	121.6414	1.501	32	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,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){2|C<3>,3|C<4>,4|H<1>}	121.4190	0.000	1	121.4190	0.000	1	121.4190	0.000	1	123.8354	3.339	15	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	120.1960	0.000	1	120.1960	0.000	1	120.8080	0.749	2	123.8354	3.339	15	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]HN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	121.4200	0.000	1	121.4200	0.000	1	120.8080	0.749	2	123.8354	3.339	15	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]S[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|H<1>,3|C<4>,4|C<3>}	124.3177	0.255	3	124.3177	0.065	3	124.9471	0.630	10	123.8354	3.339	15	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|S<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|C<4>,3|H<1>,4|C<3>}	124.9304	0.747	5	124.9304	0.558	5	124.9471	0.630	10	123.8354	3.339	15	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|S<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|C<4>,3|H<1>,4|C<3>}	125.6370	0.000	1	125.6370	0.000	1	124.9471	0.630	10	123.8354	3.339	15	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6a]C[6]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	126.2290	0.000	1	126.2290	0.000	1	124.9471	0.630	10	123.8354	3.339	15	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|N<2>,2|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<3>}	122.9030	0.000	1	122.5125	0.305	2	122.5125	0.305	2	123.8354	3.339	15	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|N<3>,2|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|S<4>,2|C<3>,2|H<1>}	122.1220	0.000	1	122.5125	0.305	2	122.5125	0.305	2	123.8354	3.339	15	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[5,6]C[5]2N[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|H<1>,2|C<3>,2|C<4>}	122.4590	0.000	1	122.4590	0.000	1	122.4590	0.000	1	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C){1|C<4>,1|H<1>,2|C<3>}	121.9320	0.000	1	121.9320	0.000	1	121.9320	0.000	1	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	122.6310	0.000	1	122.6310	0.000	1	122.6310	0.000	1	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3x6]HH)(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]C[3x6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3x6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6]C[6,6a]C[3x6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	121.1700	0.000	1	121.1700	0.000	1	121.7610	0.699	2	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	122.3520	0.000	1	122.3520	0.000	1	121.7610	0.699	2	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[4,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[4,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[4,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[4,6]N[4,6]C[4])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[4,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[4,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[4,6]N[4,6]C[4]){1|C<4>,1|H<1>,5|C<3>}	123.1560	0.000	1	123.1560	0.000	1	123.1560	0.000	1	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	121.6525	0.030	2	121.7970	0.063	3	122.4594	0.243	12	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]){1|H<1>,3|C<4>,4|C<3>}	122.0860	0.000	1	121.7970	0.063	3	122.4594	0.243	12	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	122.6855	0.651	2	122.6855	0.424	2	122.4594	0.243	12	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]S[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|S<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]S[5]){1|H<1>,2|C<4>,3|C<3>}	122.8360	0.000	1	122.6457	0.034	3	122.4594	0.243	12	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]S[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|S<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]S[5]){1|C<4>,1|H<1>,4|C<3>}	122.5505	0.118	2	122.6457	0.034	3	122.4594	0.243	12	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){2|C<3>,2|H<1>,4|C<4>}	122.2540	0.000	1	122.7035	0.099	4	122.4594	0.243	12	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){2|C<3>,3|C<4>,3|H<1>}	122.7870	0.037	2	122.7035	0.099	4	122.4594	0.243	12	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	122.9860	0.000	1	122.7035	0.099	4	122.4594	0.243	12	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){3|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]){4|C<3>,4|C<4>}	121.8870	0.000	1	121.8870	0.000	1	122.8175	1.990	6	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|Cl<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]Cl){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,2|H<1>,4|C<3>}	124.4855	0.234	2	124.4855	0.055	2	122.8175	1.990	6	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	123.0270	0.000	1	123.0270	0.000	1	122.8175	1.990	6	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6]){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	121.5240	0.000	1	121.5240	0.000	1	122.8175	1.990	6	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	121.4960	0.000	1	121.4960	0.000	1	122.8175	1.990	6	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|C<4>,6|C<3>}	121.1690	0.000	1	121.1690	0.000	1	122.3675	0.721	14	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	121.4430	0.000	1	121.4430	0.000	1	122.3675	0.721	14	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	121.6230	0.000	1	121.6230	0.000	1	122.3675	0.721	14	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	123.4410	0.069	2	123.4410	0.005	2	122.3675	0.721	14	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	123.0230	0.126	2	123.0230	0.016	2	122.3675	0.721	14	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	122.2240	0.000	1	122.2240	0.000	1	122.3675	0.721	14	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	122.6330	0.000	1	122.6330	0.000	1	122.3675	0.721	14	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	121.8690	0.000	1	121.8690	0.000	1	122.3675	0.721	14	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C){1|C<4>,1|H<1>,2|C<3>}	121.5570	0.000	1	121.5570	0.000	1	122.3675	0.721	14	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	121.3470	0.000	1	121.3470	0.000	1	122.3675	0.721	14	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6]ErN)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Er<14>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6]ErN)(C[6a]C[6a]H){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|Er<14>,1|C<4>,1|H<1>,4|C<3>}	123.1760	0.000	2	123.1760	0.000	2	122.3675	0.721	14	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6,6]OO)(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6,6]OO)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	124.6800	0.000	1	124.6800	0.000	1	124.6800	0.000	1	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[5,6]OO)(C[6a]C[6a]Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[5,6]OO)(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	126.0890	0.000	1	126.0890	0.000	1	125.7795	0.192	2	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[5,6]OO)(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[5,6]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]N[5]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	125.4700	0.000	1	125.4700	0.000	1	125.7795	0.192	2	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6,6]OO)(C[6a]C[6a]Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6,6]OO)(C[6a]C[6a]Cl){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]){1|S<4>,2|H<1>,4|C<3>}	126.2300	0.000	1	126.2300	0.000	1	126.2300	0.000	1	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]){2|C<4>,5|C<3>}	120.9230	0.000	1	120.9230	0.000	1	123.8413	6.388	3	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H){2|C<4>,3|C<3>}	125.2800	0.000	1	125.2800	0.000	1	123.8413	6.388	3	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|H<1>,1|S<2>,2|N<3>,2|O<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S){1|H<1>,2|C<3>,2|C<4>}	125.3210	0.000	1	125.3210	0.000	1	123.8413	6.388	3	122.8279	1.799	45	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	3:4:3:	3:4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H){2|C<4>,2|H<1>,3|C<3>}	119.8470	0.000	1	119.8470	0.000	1	119.8470	0.000	1	119.8470	0.000	1	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[4x6]C[6,6,6a]C[4x6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]C[6])	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]){2|H<1>,5|C<3>}	C[6,6a](C[4x6]C[6,6,6a]C[4x6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]C[6]){1|C<4>,2|H<1>,4|C<3>}	124.5705	0.482	2	124.5705	0.232	2	124.5705	0.232	2	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]){1|H<1>,3|C<4>,4|C<3>}	123.2230	0.000	1	123.2230	0.000	1	123.2230	0.000	1	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.2150	0.000	1	123.2150	0.000	1	122.9499	0.154	7	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	122.5045	0.138	2	122.5045	0.019	2	122.9499	0.154	7	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.2580	0.430	2	123.2580	0.185	2	122.9499	0.154	7	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C){1|C<4>,1|H<1>,3|C<3>}	122.7750	0.000	1	122.7750	0.000	1	122.9499	0.154	7	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6])	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|C<3>,4|O<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C){1|C<4>,2|C<3>,3|O<2>}	123.1340	0.000	1	123.1340	0.000	1	122.9499	0.154	7	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]N)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]N){1|C<4>,1|H<1>,3|C<3>}	121.9310	0.000	1	121.9310	0.000	1	122.4143	0.312	3	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C){1|C<4>,1|H<1>,3|C<3>}	122.2860	0.000	1	122.2860	0.000	1	122.4143	0.312	3	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[3])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[3]){2|H<1>,3|C<3>,3|C<4>}	123.0260	0.000	1	123.0260	0.000	1	122.4143	0.312	3	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	122.4310	0.000	1	122.4310	0.000	1	122.9010	0.442	2	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	123.3710	0.000	1	123.3710	0.000	1	122.9010	0.442	2	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	120.2240	0.000	1	120.2240	0.000	1	120.2240	0.000	1	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6]C[6a]C[3]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6]C[6a]C[3]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C){1|C<4>,1|H<1>,2|C<3>}	121.8840	0.000	1	121.8840	0.000	1	121.8840	0.000	1	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6])	C[6,6a](C[6]N[6,6]C[5a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6,6a](C[6]N[6,6]C[5a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|S<2>,3|C<3>,3|C<4>}	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]N[6a]){3|C<4>,4|C<3>}	124.3305	0.457	2	124.3305	0.209	2	124.4187	0.128	3	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6])	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]N[6a]){2|C<4>,5|C<3>}	124.5950	0.000	1	124.5950	0.000	1	124.4187	0.128	3	123.0711	1.232	20	122.3185	2.431	571	122.3127	2.432	573
643	643	914	6:SP2_SP2_SP2	C[6,6a]	C[6,6a]	N[6]	3:3:2:	4:3:3:	3:4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	121.5140	0.000	1	121.5140	0.000	1	121.5140	0.000	1	121.5140	0.000	1	122.3185	2.431	571	122.3127	2.432	573
643	643	916	0:SP2_SP2_SP3	C[6a]	C[6a]	O[5]	3:3:3:	3:3:1:	3:3:3:	O[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a](O[5]C[5,6a]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]O[5])(C[6a]C[6a]H)(H)	O[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](O[5]C[5,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]O[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2){4|H<1>,6|C<3>}	117.0157	1.420	4	117.0157	2.017	4	117.0157	2.017	4	117.0157	2.017	4	117.0157	2.017	4	117.0157	2.017	4
643	643	917	0:SP2_SP2_SP3	C[6,6,6a]	C[6a]	P[4,6,6]	3:4:3:	3:3:1:	3:2:2:1:	C[6,6,6a,6a]-3:P[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a]-3:Se[4,6]-2:Se[4,6]-2:Se-1:	C[6,6,6a](C[6,6,6a,6a]C[6,6,6a]C[6a,6a])(P[4,6,6]Se[4,6]2Se)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a,6a]P[4,6,6])(C[6a]C[6a]H)(H)	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(Se[4,6]P[4,6,6])2(Se)	C[6,6,6a](C[6,6,6a,6a]C[6,6,6a]C[6a,6a])(P[4,6,6]Se[4,6]2Se)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a,6a]P[4,6,6])(C[6a]C[6a]H)(H){1|Se<1>,2|Se<2>,1|H<1>,2|C<3>}	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(Se[4,6]P[4,6,6])2(Se){1|Se<1>,1|H<1>,3|C<3>}	117.4185	0.152	2	117.4185	0.023	2	117.4185	0.023	2	117.4185	0.023	2	120.1993	3.071	8	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6,6,6a]	C[6a]	P[4,6,6]	3:4:3:	3:3:1:	3:3:2:1:	C[6,6,6a,6a]-3:P[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a]-3:N[4,6]-3:S[4,6]-2:S-1:	C[6,6,6a](C[6,6,6a,6a]C[6,6,6a]C[6a,6a])(P[4,6,6]N[4,6]S[4,6]S)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a,6a]P[4,6,6])(C[6a]C[6a]H)(H)	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(N[4,6]P[4,6,6]Si)(S[4,6]P[4,6,6])(S)	C[6,6,6a](C[6,6,6a,6a]C[6,6,6a]C[6a,6a])(P[4,6,6]N[4,6]S[4,6]S)(C[6a]C[6a]H){1|Si<4>,1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a,6a]P[4,6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(N[4,6]P[4,6,6]Si)(S[4,6]P[4,6,6])(S){1|H<1>,1|S<1>,3|C<3>}	121.2016	0.413	5	121.1262	0.171	6	121.1262	0.171	6	121.1262	0.171	6	120.1993	3.071	8	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6,6,6a]	C[6a]	P[4,6,6]	3:4:3:	3:3:1:	3:3:2:1:	C[6,6,6a,6a]-3:P[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a]-3:N[4,6]-3:S[4,6]-2:S-1:	C[6,6,6a](C[6,6,6a,6a]C[6,6,6a]C[6a,6a])(P[4,6,6]N[4,6]S[4,6]S)(C[6a]C[6a]H)	C[6a](C[6,6,6a]C[6,6,6a,6a]P[4,6,6])(C[6a]C[6a]H)(H)	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(N[4,6]P[4,6,6]Si)(S[4,6]P[4,6,6])(S)	C[6,6,6a](C[6,6,6a,6a]C[6,6,6a]C[6a,6a])(P[4,6,6]N[4,6]S[4,6]S)(C[6a]C[6a]H){1|Si<4>,1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a,6a]P[4,6,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,1|S<1>,1|S<2>,2|C<3>}	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(N[4,6]P[4,6,6]Si)(S[4,6]P[4,6,6])(S){1|H<1>,1|S<1>,3|C<3>}	120.7490	0.000	1	121.1262	0.171	6	121.1262	0.171	6	121.1262	0.171	6	120.1993	3.071	8	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4,4]	4:3:3:	3:3:1:	3:3:3:1:	P[4,4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	P[3,4,4]-3:P[3,4,4]-3:C[6a]-3:Cl-1:	C[6a](P[4,4]P[3,4,4]2Cl)(C[6a]C[6a]F)2	C[6a](C[6a]P[4,4]C[6a])(C[6a]C[6a]F)(F)	P[4,4](P[3,4,4]P[3,3,4]2)2(C[6a]C[6a]2)(Cl)	C[6a](P[4,4]P[3,4,4]2Cl)(C[6a]C[6a]F)2{1|C<3>,2|F<1>,2|P<3>}	C[6a](C[6a]P[4,4]C[6a])(C[6a]C[6a]F)(F){1|Cl<1>,1|C<3>,2|F<1>,2|P<3>}	P[4,4](P[3,4,4]P[3,3,4]2)2(C[6a]C[6a]2)(Cl){2|C<3>,2|F<1>}	121.0500	1.493	2	121.0500	2.230	2	121.0500	2.230	2	120.4055	4.137	4	120.4055	4.137	4	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4,4]	4:3:3:	3:3:1:	3:3:3:1:	P[4,4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[3,4,4]-3:P[3,4,4]-3:C[6a]-3:Cl-1:	C[6a](P[4,4]P[3,4,4]2Cl)(C[6a]C[6a]H)2	C[6a](C[6a]P[4,4]C[6a])(C[6a]C[6a]H)(H)	P[4,4](P[3,4,4]P[3,3,4]2)2(C[6a]C[6a]2)(Cl)	C[6a](P[4,4]P[3,4,4]2Cl)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,2|P<3>}	C[6a](C[6a]P[4,4]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|P<3>}	P[4,4](P[3,4,4]P[3,3,4]2)2(C[6a]C[6a]2)(Cl){2|C<3>,2|H<1>}	119.7610	2.919	2	119.7610	8.520	2	119.7610	8.520	2	120.4055	4.137	4	120.4055	4.137	4	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	3:3:4:	3:3:1:	3:3:3:1:	C[6a]-3:C[6a]-3:P[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[4]-3:N[4]-3:H-1:	C[6a](C[6a]C[6a]H)2(P[4]N[4]2H)	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](C[6a]C[6a]2)(N[4]Ge[4]C)2(H)	C[6a](C[6a]C[6a]H)2(P[4]N[4]2H){1|Ge<3>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	P[4](C[6a]C[6a]2)(N[4]Ge[4]C)2(H){1|Cl<1>,2|C<3>,2|H<1>}	119.7770	0.844	2	119.7770	0.713	2	119.7770	0.713	2	119.7770	0.713	2	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:C[6a]-3:P[4]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-4:C[4]-4:C-4:	C[6a](C[6a]C[6a]H)2(P[4]C[4]2C)	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](C[6a]C[6a]2)(C[4]C[4]CC)(C[4]C[4]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(P[4]C[4]2C){1|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	P[4](C[6a]C[6a]2)(C[4]C[4]CC)(C[4]C[4]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	119.9520	1.858	2	119.9520	3.453	2	119.9520	3.453	2	119.9520	3.453	2	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	3:3:2:1:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[4]-3:Se[4]-2:Se-1:	C[6a](P[4]Se[4]C[4]Se)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](C[6a]C[6a]2)(C[4]C[4]C)(Se[4]C[4])(Se)	C[6a](P[4]Se[4]C[4]Se)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|Se<1>,1|Se<2>,2|C<3>,2|H<1>}	P[4](C[6a]C[6a]2)(C[4]C[4]C)(Se[4]C[4])(Se){1|C<2>,2|C<3>,2|H<1>}	119.7865	1.227	2	119.7865	1.505	2	119.7865	1.505	2	120.1220	0.877	6	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	3:3:2:1:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:C[6a]-3:S[4]-2:S-1:	C[6a](P[4]N[4]S[4]S)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](N[4]C[6a]P[4])(C[6a]C[6a]2)(S[4]P[4])(S)	C[6a](P[4]N[4]S[4]S)(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,1|S<2>}	P[4](N[4]C[6a]P[4])(C[6a]C[6a]2)(S[4]P[4])(S){1|S<1>,2|H<1>,5|C<3>}	120.2897	0.920	4	120.2897	0.847	4	120.2897	0.847	4	120.1220	0.877	6	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	3:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[4]-3:C[4]-3:	C[6a](P[4]C[6a]C[4]N[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](C[6a]C[6a]2)2(N[4]As[4]Si)(C[4]As[4]P)	C[6a](P[4]C[6a]C[4]N[4])(C[6a]C[6a]H)2{1|As<2>,1|Si<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[4](C[6a]C[6a]2)2(N[4]As[4]Si)(C[4]As[4]P){4|C<3>,4|H<1>}	120.1728	1.848	4	120.1728	3.415	4	120.3268	3.647	8	120.4393	9.201	44	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	3:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[4]-3:C[4]-3:	C[6a](P[4]C[6a]C[4]N[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](C[6a]C[6a]2)2(N[4]Ge[4]Si)(C[4]Ge[4]P)	C[6a](P[4]C[6a]C[4]N[4])(C[6a]C[6a]H)2{1|Ge<3>,1|Si<4>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	P[4](C[6a]C[6a]2)2(N[4]Ge[4]Si)(C[4]Ge[4]P){1|Mn<8>,4|C<3>,4|H<1>}	120.4808	2.243	4	120.4808	5.032	4	120.3268	3.647	8	120.4393	9.201	44	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	3:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[4]-3:N[4]-3:	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](C[6a]C[6a]2)2(N[4]Si[4]C)2	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2{1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	P[4](C[6a]C[6a]2)2(N[4]Si[4]C)2{1|Si<4>,1|N<2>,4|C<3>,4|H<1>}	120.1573	3.431	4	120.1573	11.773	4	120.1573	11.773	4	120.4393	9.201	44	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	3:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:C[6a]-3:C[6a]-3:N[4]-3:	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](N[4]C[6a]B[4])(C[6a]C[6a]2)2(N[4]B[4]C)	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	P[4](N[4]C[6a]B[4])(C[6a]C[6a]2)2(N[4]B[4]C){2|Cl<1>,4|H<1>,6|C<3>}	120.5080	4.811	4	120.5080	23.144	4	120.5027	10.782	32	120.4393	9.201	44	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	3:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:C[6a]-3:C[6a]-3:N[4]-3:	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](N[4]C[6a]Ga[4])(C[6a]C[6a]2)2(N[4]Ga[4]C)	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2{1|Ga<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	P[4](N[4]C[6a]Ga[4])(C[6a]C[6a]2)2(N[4]Ga[4]C){2|Cl<1>,4|H<1>,6|C<3>}	120.7788	5.305	4	120.7788	28.143	4	120.5027	10.782	32	120.4393	9.201	44	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	3:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:C[6a]-3:C[6a]-3:N[4]-3:	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](N[4]C[6a]Ge[4])(C[6a]C[6a]2)2(N[4]Ge[4]C)	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2{1|Ge<3>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	P[4](N[4]C[6a]Ge[4])(C[6a]C[6a]2)2(N[4]Ge[4]C){1|Cl<1>,4|H<1>,6|C<3>}	120.4264	3.035	8	120.4559	7.827	24	120.5027	10.782	32	120.4393	9.201	44	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	3:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:C[6a]-3:C[6a]-3:N[4]-3:	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](N[4]C[6a]Ge[4])(C[6a]C[6a]2)2(N[4]Ge[4]C)	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2{1|Ge<3>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	P[4](N[4]C[6a]Ge[4])(C[6a]C[6a]2)2(N[4]Ge[4]C){1|O<2>,4|H<1>,6|C<3>}	120.4600	2.598	4	120.4559	7.827	24	120.5027	10.782	32	120.4393	9.201	44	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	3:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:C[6a]-3:C[6a]-3:N[4]-3:	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](N[4]C[6a]Ge[4])(C[6a]C[6a]2)2(N[4]Ge[4]C)	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2{1|Ge<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	P[4](N[4]C[6a]Ge[4])(C[6a]C[6a]2)2(N[4]Ge[4]C){1|Cl<1>,1|Fe<5>,4|H<1>,6|C<3>}	120.7190	2.465	4	120.4559	7.827	24	120.5027	10.782	32	120.4393	9.201	44	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	3:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:C[6a]-3:C[6a]-3:N[4]-3:	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](N[4]C[6a]Ge[4])(C[6a]C[6a]2)2(N[4]Ge[4]C)	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2{1|Ge<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	P[4](N[4]C[6a]Ge[4])(C[6a]C[6a]2)2(N[4]Ge[4]C){1|Cl<1>,1|S<1>,4|H<1>,6|C<3>}	120.3132	2.759	4	120.4559	7.827	24	120.5027	10.782	32	120.4393	9.201	44	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	3:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	N[4]-3:C[6a]-3:C[6a]-3:N[4]-3:	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](N[4]C[6a]Ge[4])(C[6a]C[6a]2)2(N[4]Ge[4]C)	C[6a](P[4]C[6a]N[4]2)(C[6a]C[6a]H)2{1|Ge<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	P[4](N[4]C[6a]Ge[4])(C[6a]C[6a]2)2(N[4]Ge[4]C){1|Se<1>,1|O<2>,4|H<1>,6|C<3>}	120.3902	4.236	4	120.4559	7.827	24	120.5027	10.782	32	120.4393	9.201	44	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	3:3:3:4:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ge[4]-3:Ge[4]-3:C-4:	C[6a](P[4]Ge[4]2C)(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](C[6a]C[6a]2)(Ge[4]P[4]P)2(CSi2H)	C[6a](P[4]Ge[4]2C)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,2|P<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){2|Ge<3>,1|C<3>,1|C<4>,2|H<1>}	P[4](C[6a]C[6a]2)(Ge[4]P[4]P)2(CSi2H){1|C<4>,2|H<1>,3|C<3>}	120.6199	0.875	7	120.6199	0.765	7	120.6199	0.765	7	120.6199	0.765	7	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	B[4,6]-4:C[4]-3:C[6a]-3:C[6a]-3:	C[6a](P[4]B[4,6]C[6a]C[4])(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]F)(F)	P[4](B[4,6]C[4,6]C[6a]C[6])(C[4]C[4,6]C[6a])(C[6a]C[6a]2)2	C[6a](P[4]B[4,6]C[6a]C[4])(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]F)(F){1|B<4>,2|F<1>,3|C<3>}	P[4](B[4,6]C[4,6]C[6a]C[6])(C[4]C[4,6]C[6a])(C[6a]C[6a]2)2{11|C<3>,2|C<4>,2|F<1>}	122.8290	6.316	2	122.8290	39.890	2	122.8290	39.890	2	120.4621	4.781	68	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](B[4]C[6a]2C[4])(C[4]C[4]C[6])(C[6a]C[6a]2)2	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[4](B[4]C[6a]2C[4])(C[4]C[4]C[6])(C[6a]C[6a]2)2{10|C<3>,1|C<4>,4|H<1>}	120.3053	3.097	4	120.3053	9.593	4	120.2214	3.777	20	120.4621	4.781	68	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2{10|C<3>,1|C<4>,4|H<1>}	120.1700	3.221	4	120.2004	2.863	16	120.2214	3.777	20	120.4621	4.781	68	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2{11|C<3>,4|H<1>}	120.2105	1.037	12	120.2004	2.863	16	120.2214	3.777	20	120.4621	4.781	68	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si)	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Si<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si){2|H<1>,3|C<4>,8|C<3>}	117.8010	0.293	2	117.8010	0.086	2	120.4028	4.369	38	120.4621	4.781	68	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){4|H<1>,9|C<3>}	120.5926	1.147	8	120.5121	1.135	12	120.4028	4.369	38	120.4621	4.781	68	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){4|H<1>,9|C<3>}	120.3510	1.019	4	120.5121	1.135	12	120.4028	4.369	38	120.4621	4.781	68	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]H)	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]H){4|H<1>,9|C<3>}	120.3708	2.249	4	120.3708	5.058	4	120.4028	4.369	38	120.4621	4.781	68	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si)	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si){5|H<1>,8|C<3>}	120.5420	3.511	4	120.6037	6.284	20	120.4028	4.369	38	120.4621	4.781	68	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si)	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si){1|C<4>,4|H<1>,8|C<3>}	120.7313	2.514	12	120.6037	6.284	20	120.4028	4.369	38	120.4621	4.781	68	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si)	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]H)2{1|Si<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si){5|H<1>,8|C<3>}	120.2830	2.025	4	120.6037	6.284	20	120.4028	4.369	38	120.4621	4.781	68	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4,5]-4:N[4]-3:C[6a]-3:C[6a]-3:	C[6a](P[4]C[4,5]C[6a]N[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](C[4,5]Ge[4,5]N[5]P)(N[4]Ge[4,5]Si)(C[6a]C[6a]2)2	C[6a](P[4]C[4,5]C[6a]N[4])(C[6a]C[6a]H)2{1|Ge<3>,1|Si<4>,1|N<2>,1|P<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	P[4](C[4,5]Ge[4,5]N[5]P)(N[4]Ge[4,5]Si)(C[6a]C[6a]2)2{1|N<2>,1|N<3>,4|C<3>,4|H<1>}	120.6630	2.396	4	120.6630	5.739	4	120.6630	5.739	4	120.4621	4.781	68	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[4]-4:C[6a]-3:C[6a]-3:N[4]-3:	C[6a](P[4]C[6a]C[4]N[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](C[4]Ge[4]RhP)(C[6a]C[6a]2)2(N[4]Ge[4]Si)	C[6a](P[4]C[6a]C[4]N[4])(C[6a]C[6a]H)2{1|Ge<3>,1|Rh<7>,1|Si<4>,1|P<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	P[4](C[4]Ge[4]RhP)(C[6a]C[6a]2)2(N[4]Ge[4]Si){1|Cl<1>,4|C<3>,4|H<1>}	120.8458	2.351	4	120.8458	5.527	4	120.8458	5.527	4	120.4621	4.781	68	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:1:	6:4:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5x3,4,5x5,20x6]-6:B[4]-4:C[6a]-3:C[6a]-3:	C[6a](P[4]C[5x3,4,5x5,20x6]C[6a]B[4])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H)	P[4](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(B[4]C[5x3,4,5x5,20x6]C[6a]2)(C[6a]C[6a]2)2	C[6a](P[4]C[5x3,4,5x5,20x6]C[6a]B[4])(C[6a]C[6a]H)2{1|C<6>,2|H<1>,4|B<6>,5|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(H){1|B<4>,1|C<6>,2|C<3>,2|H<1>}	P[4](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(B[4]C[5x3,4,5x5,20x6]C[6a]2)(C[6a]C[6a]2)2{5|B<6>,8|C<3>,8|H<1>}	120.5648	4.623	4	120.5648	21.368	4	120.5648	21.368	4	120.5648	21.368	4	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:4:	3:3:3:4:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:C-4:	C[6a](P[4]C[4,6a]2C)(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CC3)	P[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6a](P[4]C[4,6a]2C)(C[6a]C[6a]C)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CC3){3|C<3>,3|C<4>}	P[4](C[4,6a]C[4,6a,6a]C[6a])2(C[6a]C[6a]2)(CH3){2|C<4>,2|H<1>,5|C<3>}	119.2140	0.736	4	119.2140	0.541	4	119.2140	0.541	4	119.2140	0.541	4	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:4:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[4,6]-4:C[4]-3:C[6a]-3:C[6a]-3:	C[6a](P[4]B[4,6]C[6a]C[4])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3)	P[4](B[4,6]C[4,6]C[6a]C[6])(C[4]C[4,6]C[6a])(C[6a]C[6a]2)2	C[6a](P[4]B[4,6]C[6a]C[4])(C[6a]C[6a]C)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<4>,3|C<3>}	P[4](B[4,6]C[4,6]C[6a]C[6])(C[4]C[4,6]C[6a])(C[6a]C[6a]2)2{11|C<3>,2|C<4>,2|F<1>}	120.3400	8.482	2	120.3400	71.952	2	120.3400	71.952	2	120.4521	13.644	28	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:4:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3)	P[4](B[4]C[6a]2C[4])(C[4]C[4]C[6])(C[6a]C[6a]2)2	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]C)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<4>,3|C<3>}	P[4](B[4]C[6a]2C[4])(C[4]C[4]C[6])(C[6a]C[6a]2)2{10|C<3>,5|C<4>}	120.3890	4.132	4	120.3890	17.070	4	120.3823	11.036	12	120.4521	13.644	28	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:4:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[4]-4:C[4]-3:C[6a]-3:C[6a]-3:	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3)	P[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]C)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<4>,3|C<3>}	P[4](B[4]C[6a]2C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)2{11|C<3>,4|C<4>}	120.3790	3.166	8	120.3790	10.026	8	120.3823	11.036	12	120.4521	13.644	28	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:4:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si)	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Si<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3){1|B<4>,2|H<1>,3|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]Si){2|H<1>,3|C<4>,8|C<3>}	121.6555	0.105	2	121.6555	0.011	2	120.5280	13.453	14	120.4521	13.644	28	120.4064	7.142	165	120.3970	6.850	177
643	643	917	0:SP2_SP2_SP3	C[6a]	C[6a]	P[4]	4:3:3:	3:3:4:	4:3:3:3:	P[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	B[4]-4:C[6a]-3:C[6a]-3:C[4]-3:	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3)	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C)	C[6a](P[4]C[6a]B[4]C[4])(C[6a]C[6a]C)2{2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]P[4])(C[6a]C[6a]H)(CH3){1|B<4>,2|C<4>,3|C<3>}	P[4](B[4]C[6a]2C[4])(C[6a]C[6a]2)2(C[4]C[4]C){4|C<4>,9|C<3>}	120.3401	3.953	12	120.3401	15.628	12	120.5280	13.453	14	120.4521	13.644	28	120.4064	7.142	165	120.3970	6.850	177
643	643	917	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6,6a,6a]	P[4,6,6]	3:4:3:	3:3:3:	3:2:2:1:	C[6,6,6a,6a]-3:P[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:Se[4,6]-2:Se[4,6]-2:Se-1:	C[6,6,6a](C[6,6,6a,6a]C[6,6,6a]C[6a,6a])(P[4,6,6]Se[4,6]2Se)(C[6a]C[6a]H)	C[6,6,6a,6a](C[6,6,6a]P[4,6,6]C[6a])2(C[6a,6a]C[6a]2)	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(Se[4,6]P[4,6,6])2(Se)	C[6,6,6a](C[6,6,6a,6a]C[6,6,6a]C[6a,6a])(P[4,6,6]Se[4,6]2Se)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6,6,6a,6a](C[6,6,6a]P[4,6,6]C[6a])2(C[6a,6a]C[6a]2){2|Se<1>,2|Se<2>,2|C<3>,4|H<1>}	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(Se[4,6]P[4,6,6])2(Se){1|Se<1>,1|H<1>,3|C<3>}	122.2745	0.736	2	122.2745	0.542	2	122.2745	0.542	2	122.2745	0.542	2	119.4043	3.361	8	119.4043	3.361	8
643	643	917	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6,6a,6a]	P[4,6,6]	3:4:3:	3:3:3:	3:3:2:1:	C[6,6,6a,6a]-3:P[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:N[4,6]-3:S[4,6]-2:S-1:	C[6,6,6a](C[6,6,6a,6a]C[6,6,6a]C[6a,6a])(P[4,6,6]N[4,6]S[4,6]S)(C[6a]C[6a]H)	C[6,6,6a,6a](C[6,6,6a]P[4,6,6]C[6a])2(C[6a,6a]C[6a]2)	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(N[4,6]P[4,6,6]Si)(S[4,6]P[4,6,6])(S)	C[6,6,6a](C[6,6,6a,6a]C[6,6,6a]C[6a,6a])(P[4,6,6]N[4,6]S[4,6]S)(C[6a]C[6a]H){1|Si<4>,1|H<1>,1|P<4>,3|C<3>}	C[6,6,6a,6a](C[6,6,6a]P[4,6,6]C[6a])2(C[6a,6a]C[6a]2){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|S<1>,3|H<1>}	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(N[4,6]P[4,6,6]Si)(S[4,6]P[4,6,6])(S){1|H<1>,1|S<1>,3|C<3>}	118.8470	0.423	2	118.4475	0.204	6	118.4475	0.204	6	118.4475	0.204	6	119.4043	3.361	8	119.4043	3.361	8
643	643	917	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6,6a,6a]	P[4,6,6]	3:4:3:	3:3:3:	3:3:2:1:	C[6,6,6a,6a]-3:P[4,6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:N[4,6]-3:S[4,6]-2:S-1:	C[6,6,6a](C[6,6,6a,6a]C[6,6,6a]C[6a,6a])(P[4,6,6]N[4,6]S[4,6]S)(C[6a]C[6a]H)	C[6,6,6a,6a](C[6,6,6a]P[4,6,6]C[6a])2(C[6a,6a]C[6a]2)	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(N[4,6]P[4,6,6]Si)(S[4,6]P[4,6,6])(S)	C[6,6,6a](C[6,6,6a,6a]C[6,6,6a]C[6a,6a])(P[4,6,6]N[4,6]S[4,6]S)(C[6a]C[6a]H){1|Si<4>,1|H<1>,1|P<4>,3|C<3>}	C[6,6,6a,6a](C[6,6,6a]P[4,6,6]C[6a])2(C[6a,6a]C[6a]2){1|N<3>,1|S<2>,2|C<3>,2|S<1>,4|H<1>}	P[4,6,6](C[6,6,6a]C[6,6,6a,6a]C[6a])(N[4,6]P[4,6,6]Si)(S[4,6]P[4,6,6])(S){1|H<1>,1|S<1>,3|C<3>}	118.2477	0.347	4	118.4475	0.204	6	118.4475	0.204	6	118.4475	0.204	6	119.4043	3.361	8	119.4043	3.361	8
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:Se-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SeC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|O<1>,2|H<1>,3|C<3>}	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	121.0443	0.653	4	121.0443	0.427	4	120.8492	0.510	5	120.0806	3.493	11	120.0806	3.493	11	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:Se-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(SeC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se)	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(SeC[6a]){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]Se){1|H<1>,1|I<1>,1|O<1>,3|C<3>}	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	120.0690	0.000	1	120.0690	0.000	1	120.8492	0.510	5	120.0806	3.493	11	120.0806	3.493	11	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:Se-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SeC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Se)(C[6]C[6]O)	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Se)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	120.9335	0.430	4	120.9335	0.185	4	120.9335	0.185	4	120.0806	3.493	11	120.0806	3.493	11	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:Se-2:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(SeC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Se)	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(SeC[6a]){1|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Se){1|N<3>,2|C<3>,8|H<1>}	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	116.4535	0.405	2	116.4535	0.164	2	116.4535	0.164	2	120.0806	3.493	11	120.0806	3.493	11	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:2:2:	3:3:3:	3:2:	C[6a,6a]-3:N[6a]-2:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SeSe)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a,6a]N[6a])(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(SeSe){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]Se)(C[6a]C[6a]H){2|C<3>,3|H<1>}	Se(C[6a]C[6a,6a]N[6a])(SeC[6a])	117.6830	0.000	1	117.6830	0.000	1	117.6830	0.000	1	117.6830	0.000	1	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:2:3:	3:3:3:	5:3:	C[6a,6a]-3:Se-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(SeC[3x3,4,3x5,14x6])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(SeC[3x3,4,3x5,14x6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]H){2|C<3>,4|H<1>}	Se(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]C[6a])	121.1460	0.356	2	121.1460	0.127	2	121.1460	0.127	2	121.1460	0.127	2	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se)	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se){2|C<3>,4|H<1>}	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	122.3645	0.383	2	122.3645	0.146	2	122.0279	0.373	9	122.0279	0.373	9	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]Se)	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe){1|Cl<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Cl)(C[6a]C[6a]Se){2|C<3>,4|H<1>}	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	122.0178	0.503	4	122.0178	0.253	4	122.0279	0.373	9	122.0279	0.373	9	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]S)	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]S){2|C<3>,4|H<1>}	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	121.4775	1.012	2	121.4775	1.024	2	122.0279	0.373	9	122.0279	0.373	9	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)2	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe){1|Se<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)2{2|C<3>,4|H<1>}	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	122.4960	0.000	1	122.4960	0.000	1	122.0279	0.373	9	122.0279	0.373	9	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se){2|C<3>,2|C<4>,2|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	121.7995	0.607	2	121.7995	0.369	2	122.4375	4.008	11	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]I)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|I<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]I){2|C<3>,2|C<4>,2|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	122.2780	0.000	1	122.2780	0.000	1	122.4375	4.008	11	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]S)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]S){2|C<3>,2|C<4>,2|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	122.0895	1.863	2	122.0895	3.472	2	122.4375	4.008	11	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)2	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|Se<2>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)2{2|C<3>,2|C<4>,2|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	123.3495	1.396	4	122.7928	6.880	6	122.4375	4.008	11	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)2	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|Se<3>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)2{2|C<3>,2|C<4>,2|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	121.6795	4.983	2	122.7928	6.880	6	122.4375	4.008	11	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(SeC[6])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)2	Se(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(SeC[6]){2|Se<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)2{4|Se<2>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	118.7430	0.000	1	118.7430	0.000	1	118.7430	0.000	1	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(SeC[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(SeC[6a]){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.5497	0.433	3	119.5497	0.188	3	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SeC[6a]){1|Se<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Se)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	120.3630	0.000	1	120.3630	0.000	1	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]Se)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]Se){3|C<3>,3|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	120.8315	0.448	2	120.8315	0.200	2	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]Se)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]O)(C[6a]C[6a]Se){3|C<3>,3|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	120.2695	0.736	2	120.2695	0.542	2	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]As)(C[6a]C[6a]Se)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|As<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]As)(C[6a]C[6a]Se){2|C<3>,4|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	125.3210	0.000	1	125.3210	0.000	1	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|Br<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]Se){2|C<3>,4|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	122.7570	0.000	1	122.7570	0.000	1	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]H){2|C<3>,4|H<1>}	Se(C[6a]C[6a,6a]C[6a])2	119.6045	2.302	2	119.6045	5.298	2	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]O)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]O){2|C<3>,4|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.7300	0.000	1	119.7300	0.000	1	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]P)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]P){2|C<3>,4|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	125.7290	0.000	1	125.7290	0.000	1	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]S)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]S){2|C<3>,4|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	123.6815	1.718	4	123.6815	2.952	4	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)2	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|Se<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)2{2|C<3>,4|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	122.8910	1.004	4	122.3396	2.277	5	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)2	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|Se<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)2{2|C<3>,4|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	120.1340	0.000	1	122.3396	2.277	5	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	117.7010	0.000	1	117.7010	0.000	1	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SeC[6a]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	120.9245	0.199	2	120.9245	0.039	2	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(SeC[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.6410	0.000	1	119.6410	0.000	1	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)2	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(SeC[6a]){2|Se<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)2{4|Se<2>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.7470	0.000	1	118.7470	0.000	1	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(SeC[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(SeC[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	123.0330	0.000	1	123.0330	0.000	1	121.4260	4.868	29	121.6320	4.828	41	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)2	Se(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC){1|Se<2>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)2{2|C<3>,4|H<1>}	Se(C[6a]C[6a,6a]C[6a])(CH3)	123.0850	0.000	1	123.6305	0.595	2	122.7797	2.469	3	122.2242	1.844	5	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)2	Se(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC){1|Se<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)2{2|C<3>,4|H<1>}	Se(C[6a]C[6a,6a]C[6a])(CH3)	124.1760	0.000	1	123.6305	0.595	2	122.7797	2.469	3	122.2242	1.844	5	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(SeC)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(SeC){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	Se(C[6a]C[6a,6a]C[6a])(CCHH)	121.0780	0.000	1	121.0780	0.000	1	122.7797	2.469	3	122.2242	1.844	5	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	Se	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[5]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]H){2|C<3>,4|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)	121.3910	0.349	2	121.3910	0.122	2	121.3910	0.122	2	122.2242	1.844	5	121.6596	3.908	58	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	2:3:2:	3:3:3:	3:3:	N[6a]-2:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]N[6a]Se)(C[6a]C[6a]2)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(SeC[6a]){1|Se<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]N[6a]Se)(C[6a]C[6a]2){2|H<1>,4|C<3>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.3730	0.000	1	117.3730	0.000	1	117.3730	0.000	1	117.3730	0.000	1	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(H)	Se(C[6a]C[6a]N[6a])(SeC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>}	Se(C[6a]C[6a]N[6a])(SeC[6a])	125.4845	1.071	2	125.4845	1.148	2	123.7326	15.762	7	123.7326	15.762	7	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]N[6a])(SeC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])(SeC[6a])	125.3753	1.093	3	125.3753	1.195	3	123.7326	15.762	7	123.7326	15.762	7	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H)	Se(C[6a]C[6a]N[6a])(SeC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeSe){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])(SeC[6a])	119.5165	6.423	2	119.5165	41.250	2	123.7326	15.762	7	123.7326	15.762	7	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(SeC[6a])	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(Cl)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(Cl){1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	118.6525	0.769	2	118.6525	0.591	2	118.6525	0.591	2	123.0910	5.265	11	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a])	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	124.1163	0.798	4	124.0773	0.488	9	124.0773	0.488	9	123.0910	5.265	11	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a])	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	124.2545	0.610	4	124.0773	0.488	9	124.0773	0.488	9	123.0910	5.265	11	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a])	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC[6a]){1|Se<4>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	123.2130	0.000	1	124.0773	0.488	9	124.0773	0.488	9	123.0910	5.265	11	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(H)	Se(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>}	Se(C[6a]C[6a]N[6a])(CH3)	118.2820	0.441	2	117.9992	0.172	4	117.6104	0.235	10	117.6104	0.235	10	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(H)	Se(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])(CH3)	117.7165	0.035	2	117.9992	0.172	4	117.6104	0.235	10	117.6104	0.235	10	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])(CH3)	117.5180	0.173	2	117.5180	0.030	2	117.6104	0.235	10	117.6104	0.235	10	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H)	Se(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])(CH3)	117.5235	0.424	2	117.5235	0.179	2	117.6104	0.235	10	117.6104	0.235	10	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H)	Se(C[6a]C[6a]N[6a])(CSeHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(SeC){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])(CSeHH)	117.0120	0.184	2	117.0120	0.034	2	117.6104	0.235	10	117.6104	0.235	10	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:2:	3:2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeSe)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH)	Se(C[6a]C[6a]N[6a])(SeC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeSe){1|Br<1>,2|C<3>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH){2|C<3>}	Se(C[6a]C[6a]N[6a])(SeC[6a])	117.4502	0.907	4	117.4502	0.822	4	117.4502	0.822	4	117.4502	0.822	4	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a])	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]2)(CN)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a]){1|N<3>,2|C<3>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]2)(CN){1|C<2>,3|C<3>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	117.7000	0.000	1	117.7000	0.000	1	117.7000	0.000	1	117.7017	2.052	3	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:2:	3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeC[6a])	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH)	Se(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(SeC[6a]){1|Br<1>,2|C<3>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(OH){2|C<3>}	Se(C[6a]C[6a]N[6a])2	117.7025	2.026	2	117.7025	4.104	2	117.7025	4.104	2	117.7017	2.052	3	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:3:	3:2:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeSe)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CNO)	Se(C[6a]C[6a]N[6a])(SeC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])(SeC[6a])	120.2920	1.517	3	120.2920	2.303	3	120.2920	2.303	3	120.2920	2.303	3	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:3:	3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CCO)	Se(C[6a]C[6a]N[6a])(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])(CC[6a]HH)	121.0030	0.000	1	121.0030	0.000	1	121.0030	0.000	1	121.0030	0.000	1	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:4:	3:3:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a])	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CH3)	Se(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])2	119.4355	0.021	2	119.4355	0.000	2	119.4355	0.000	2	119.4355	0.000	2	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:2:	3:3:4:	3:4:	C[6a]-3:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC)	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(CH3)	Se(C[6a]C[6a]N[6a])(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(SeC){1|Se<2>,1|C<3>,1|C<4>}	C[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])(CH3)	118.6975	0.011	2	118.6975	0.000	2	118.6975	0.000	2	118.6975	0.000	2	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:2:3:	3:3:1:	5:3:	C[6a,6a]-3:Se-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x3,4,3x5,14x6]-5:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(SeC[3x3,4,3x5,14x6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(SeC[3x3,4,3x5,14x6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a,6a]C[6a])	118.0205	0.190	2	118.0205	0.036	2	118.0205	0.036	2	118.0205	0.036	2	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	2:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(SeC[6a])	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]Se)(O)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(SeC[6a]){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]Se)(O){3|C<3>}	Se(C[6a]C[6a]2)2	115.7590	0.407	2	115.7590	0.166	2	114.7183	3.332	3	114.7183	3.332	3	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	2:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(SeC[6a])	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]Se)(O)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(SeC[6a]){2|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]Se)(O){1|H<1>,2|C<3>}	Se(C[6a]C[6a]2)2	112.6370	0.000	1	112.6370	0.000	1	114.7183	3.332	3	114.7183	3.332	3	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:2:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(N[6a]C[6a])(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(SeC[6a]){1|Se<2>,1|C<3>}	C[6a](C[6a]C[6a]Se)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a]2)2	119.5540	0.399	2	119.5540	0.159	2	119.5540	0.159	2	119.5540	0.159	2	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Br-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeBr)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeBr){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Se(C[6a]C[6a]2)(Br)	118.9360	0.000	1	118.9360	0.000	1	119.9239	1.546	13	120.2487	2.863	22	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Br-1:	C[6a](C[6a]C[6a]H)2(SeBr)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(SeBr){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(Br)	120.0063	1.261	12	120.0063	1.591	12	119.9239	1.546	13	120.2487	2.863	22	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeH)	C[6a](C[6a]C[6a]Se)2(H)	Se(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeH){1|Se<2>,2|C<3>}	C[6a](C[6a]C[6a]Se)2(H){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)(H)	118.2720	0.000	1	118.2720	0.000	1	119.7246	1.085	7	120.2487	2.863	22	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SeH)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H)	Se(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(SeH){1|Se<1>,2|C<3>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)(H)	121.4740	0.000	1	120.9435	0.563	2	119.7246	1.085	7	120.2487	2.863	22	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SeH)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H)	Se(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(SeH){1|Se<2>,2|C<3>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)(H)	120.4130	0.000	1	120.9435	0.563	2	119.7246	1.085	7	120.2487	2.863	22	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SeH)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(SeH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(H)	119.6330	0.550	2	119.6330	0.303	2	119.7246	1.085	7	120.2487	2.863	22	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SeH)	C[6a](C[6a]C[6a]Se)2(H)	Se(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(SeH){1|Se<1>,2|C<3>}	C[6a](C[6a]C[6a]Se)2(H){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)(H)	118.9890	0.000	1	119.3235	0.224	2	119.7246	1.085	7	120.2487	2.863	22	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(SeH)	C[6a](C[6a]C[6a]Se)2(H)	Se(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(SeH){1|Se<2>,2|C<3>}	C[6a](C[6a]C[6a]Se)2(H){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)(H)	119.6580	0.000	1	119.3235	0.224	2	119.7246	1.085	7	120.2487	2.863	22	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:1:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:I-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeI)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeI){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Se(C[6a]C[6a]2)(I)	124.1945	0.798	2	124.1945	0.637	2	124.1945	0.637	2	120.2487	2.863	22	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	117.2155	0.441	2	117.6874	0.516	9	117.6874	0.516	9	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	117.4522	0.295	4	117.6874	0.516	9	117.6874	0.516	9	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	118.6655	1.044	2	117.6874	0.516	9	117.6874	0.516	9	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeSe){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(SeC[6a])	117.6160	0.000	1	117.6874	0.516	9	117.6874	0.516	9	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]F)2(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]F)(F)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]F)2(SeSe){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	Se(C[6a]C[6a]2)(SeC[6a])	120.8383	5.195	4	120.8383	26.989	4	120.8383	26.989	4	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a]2)(CN)	122.2510	0.000	1	122.2510	0.000	1	121.3818	7.420	5	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Se(C[6a]C[6a]2)(CN)	122.7410	0.074	2	122.7410	0.005	2	121.3818	7.420	5	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Se(C[6a]C[6a]2)(CN)	119.5880	4.335	2	119.5880	18.788	2	121.3818	7.420	5	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	120.7252	1.535	12	121.1744	2.021	20	120.7275	7.311	64	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a]2)(SeC[6a])	121.9090	1.017	7	121.1744	2.021	20	120.7275	7.311	64	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	Se(C[6a]C[6a]2)(SeC[6a])	121.4230	0.000	1	121.1744	2.021	20	120.7275	7.311	64	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(SeSe)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Se(C[6a]C[6a]2)(SeSe)	122.2035	0.432	2	122.2035	0.187	2	120.7275	7.311	64	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeSe){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a]2)(SeC[6a])	121.3312	0.701	4	121.2278	0.373	6	120.7275	7.311	64	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeSe){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	121.0210	0.515	2	121.2278	0.373	6	120.7275	7.311	64	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Se(C[6a]C[6a]2)(SeC[6a])	118.4952	1.879	6	118.4952	3.530	6	120.7275	7.311	64	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)(SeC[6a])	124.9964	0.910	5	124.9964	0.828	5	120.7275	7.311	64	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	Se(C[6a]C[6a]2)(SeC[6a])	120.5945	0.374	2	120.5945	0.140	2	120.7275	7.311	64	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)2(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)2(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	119.5400	0.807	4	119.7458	11.180	23	120.7275	7.311	64	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)2(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)2(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	119.7892	3.680	19	119.7458	11.180	23	120.7275	7.311	64	120.4391	8.073	82	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[5a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[5a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]Se)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	Se(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	121.8790	0.298	2	121.8790	0.089	2	121.8790	0.089	2	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	120.6835	0.360	8	120.6835	0.130	8	121.2402	1.514	10	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6,6a]Se)(C[6a]C[6a]C)(H)	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(SeC[6a]){1|C<3>,4|C<4>}	C[6a](C[6a]C[6,6a]Se)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	123.4670	0.569	2	123.4670	0.323	2	121.2402	1.514	10	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(SeC[6a])	C[6a](C[6a]C[6,6a]Se)(C[6a]C[6a]H)(I)	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(SeC[6a]){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]Se)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	122.9120	0.000	1	122.9120	0.000	1	122.9120	0.000	1	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[5,6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.7745	1.080	2	117.3090	3.608	11	117.3190	7.249	31	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[5,6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.2640	0.000	1	117.3090	3.608	11	117.3190	7.249	31	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[5,6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	117.1350	2.943	2	117.3090	3.608	11	117.3190	7.249	31	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[5,6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	116.1743	1.862	4	117.3090	3.608	11	117.3190	7.249	31	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[5,6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|Se<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	117.3095	1.586	2	117.3090	3.608	11	117.3190	7.249	31	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|As<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	113.0760	0.000	1	116.5071	6.096	17	117.3190	7.249	31	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	117.6970	0.000	1	116.5071	6.096	17	117.3190	7.249	31	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	120.1920	0.588	3	116.5071	6.096	17	117.3190	7.249	31	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	112.6030	0.000	1	116.5071	6.096	17	117.3190	7.249	31	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	115.1792	1.538	4	116.5071	6.096	17	117.3190	7.249	31	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	115.5700	1.143	4	116.5071	6.096	17	117.3190	7.249	31	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|Se<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	117.9480	0.000	1	116.5071	6.096	17	117.3190	7.249	31	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	117.8615	0.590	2	116.5071	6.096	17	117.3190	7.249	31	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])2	121.1390	2.027	2	121.1390	4.107	2	117.3190	7.249	31	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]N[6a]C)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]N[6a]C)(H){2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	123.5920	0.000	1	123.5920	0.000	1	117.3190	7.249	31	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(N[6a]C[6a]C)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(SeC[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	117.4840	0.000	1	117.4840	0.000	1	117.4840	0.000	1	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[5,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SeC[5a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Se)(H)	Se(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SeC[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Se)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	Se(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	117.8840	0.000	1	117.8840	0.000	1	117.8840	0.000	1	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SeC[5])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Se)(H)	Se(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SeC[5]){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Se)(H){1|H<1>,1|O<1>,3|C<3>}	Se(C[6a]C[6a]2)(C[5]N[5]2)	121.6590	0.000	1	121.6590	0.000	1	121.6590	0.000	1	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Se)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(SeC[6a]){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Se)(H){1|H<1>,1|N<3>,3|C<3>}	Se(C[6a]C[6a]2)2	117.9080	0.000	1	117.9080	0.000	1	117.9080	0.000	1	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(SeC[6a]){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Se(C[6a]C[6a]2)2	126.4960	0.000	1	126.4960	0.000	1	126.4960	0.000	1	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:Br-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SeC[5a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(Br)	Se(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SeC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	Se(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	118.4430	0.000	1	118.4430	0.000	1	118.4430	0.000	1	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(Br)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(Br){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)2	118.9010	0.000	1	118.9010	0.000	1	118.9010	0.000	1	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(F)	Se(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]F)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(F){1|C<2>,1|C<3>,1|F<1>}	Se(C[6a]C[6a]2)(CCO)	121.8460	0.273	2	121.8460	0.074	2	121.8460	0.074	2	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]N[6a]F)(F)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(SeC[6a]){1|N<2>,2|F<1>}	C[6a](C[6a]C[6a]Se)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	Se(C[6a]C[6a]2)2	121.8014	0.903	12	121.8014	0.815	12	121.8014	0.815	12	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[5]C[5,5]C[5])(C[6a]C[6a]2)	119.7000	7.186	2	119.7000	51.633	2	120.0583	8.896	12	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Se(C[5]C[5,6]C[5])(C[6a]C[6a]2)	120.4690	2.819	2	120.1653	6.550	8	120.0583	8.896	12	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[5]C[5,6]C[5])(C[6a]C[6a]2)	120.0640	2.744	6	120.1653	6.550	8	120.0583	8.896	12	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[5]C[5]N[5])(C[6a]C[6a]2)	119.9885	0.111	2	119.9885	0.012	2	120.0583	8.896	12	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SeC[5a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Se)(H)	Se(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SeC[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Se)(H){1|C<3>,1|H<1>,1|O<2>}	Se(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	121.4810	0.000	1	121.4810	0.000	1	120.4132	10.962	14	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SeC[5a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SeC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	Se(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)	122.8920	0.000	1	122.8920	0.000	1	120.4132	10.962	14	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[5a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)	120.0620	5.824	2	120.0620	33.916	2	120.4132	10.962	14	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[5a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[5a]C[5a]2)(C[6a]C[6a]2)	119.9951	3.741	8	119.9951	13.997	8	120.4132	10.962	14	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[5a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	120.6635	1.245	2	120.6635	1.551	2	120.4132	10.962	14	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	120.4120	1.659	2	120.4120	2.752	2	120.4120	2.752	2	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:	C[6a](C[6a]C[6a]H)2(SeB)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(BC[5]B)	C[6a](C[6a]C[6a]H)2(SeB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(BC[5]B)	120.3215	1.393	4	120.3215	1.941	4	120.3215	1.941	4	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[5]-3:	C[6a](C[6a]C[6a]H)2(SeB[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(B[5]O[5]2)	C[6a](C[6a]C[6a]H)2(SeB[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(B[5]O[5]2)	120.1225	5.276	2	120.1225	27.833	2	120.1225	27.833	2	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H)	Se(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6a]C)	120.4070	0.000	1	120.4070	0.000	1	120.0590	4.208	86	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CAsC)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CAsC)	119.3095	3.318	2	119.3095	11.012	2	120.0590	4.208	86	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CCC)	120.2883	2.123	24	120.2883	4.508	24	120.0590	4.208	86	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CCH)	119.8108	3.363	10	119.8108	11.307	10	120.0590	4.208	86	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CCN)	120.1580	4.608	2	120.1580	21.229	2	120.0590	4.208	86	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CC[3]C)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[3]C)	120.1300	2.063	4	120.1300	4.258	4	120.0590	4.208	86	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CC[5]H)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[5]H)	120.9590	3.561	4	120.9590	12.682	4	120.0590	4.208	86	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6a]C)	119.7160	0.000	1	119.8485	0.888	15	120.0590	4.208	86	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6a]C)	119.8580	0.977	14	119.8485	0.888	15	120.0590	4.208	86	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6a]C[5])	119.8042	1.246	6	119.8042	1.552	6	120.0590	4.208	86	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6a]O)	119.7565	2.129	2	120.1312	3.718	6	120.0590	4.208	86	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a]2)(CC[6a]O)	120.3185	2.132	4	120.1312	3.718	6	120.0590	4.208	86	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(COO)	119.6790	0.502	4	119.6790	0.252	4	120.0590	4.208	86	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CSeC)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CSeC)	120.0365	1.754	8	120.0365	3.076	8	120.0590	4.208	86	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[3]-3:	C[6a](C[6a]C[6a]H)2(SeC[3])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(C[3]C[3]2)	C[6a](C[6a]C[6a]H)2(SeC[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(C[3]C[3]2)	119.7585	5.059	2	119.7585	25.597	2	119.7585	25.597	2	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SeC[5])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Se)(H)	Se(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(SeC[5]){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Se)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a]2)(C[5]N[5]2)	118.4220	0.000	1	118.4220	0.000	1	119.9192	7.379	13	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H)	Se(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(SeC[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(C[5]C[5]2)	116.6590	0.000	1	116.6590	0.000	1	119.9192	7.379	13	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(SeC[5]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(C[5]C[5]2)	122.8190	0.000	1	120.3941	8.889	9	119.9192	7.379	13	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(SeC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Se(C[6a]C[6a]2)(C[5]C[5]2)	120.4595	1.237	2	120.3941	8.889	9	119.9192	7.379	13	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(SeC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(C[5]C[5]2)	119.9682	3.538	6	120.3941	8.889	9	119.9192	7.379	13	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(SeC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Se(C[6a]C[6a]2)(C[5]N[5]2)	120.1610	1.557	2	120.1610	2.424	2	119.9192	7.379	13	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(SeC[6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(SeC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(C[6]C[6]2)	120.0748	2.435	14	120.0748	5.930	14	120.0748	5.930	14	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Se)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(SeC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Se)(H){1|C<3>,1|H<1>,1|N<3>}	Se(C[6a]C[6a]2)2	119.6750	0.000	1	119.6750	0.000	1	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Se)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Se)(H){3|C<3>}	Se(C[6a]C[6a]2)2	121.5080	0.000	1	121.5080	0.000	1	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	Se(C[6a]C[6a]2)2	123.2730	0.000	1	123.2730	0.000	1	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>}	Se(C[6a]C[6a]2)2	118.3370	0.000	1	118.3370	0.000	1	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	Se(C[6a]C[6a]2)2	116.1340	0.000	1	119.1676	3.391	22	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a]2)2	121.0760	2.640	2	119.1676	3.391	22	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Se(C[6a]C[6a]2)2	119.6227	1.724	6	119.1676	3.391	22	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a]2)2	119.0267	1.920	9	119.1676	3.391	22	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a]){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a]2)2	118.6065	0.500	4	119.1676	3.391	22	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	Se(C[6a]C[6a]2)2	120.0390	0.946	2	119.6259	1.169	7	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Se(C[6a]C[6a]2)2	119.4733	1.371	4	119.6259	1.169	7	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	Se(C[6a]C[6a]2)2	119.4100	0.000	1	119.6259	1.169	7	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)2	125.3880	0.000	1	125.3880	0.000	1	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]F)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|O<2>}	Se(C[6a]C[6a]2)2	118.9760	0.000	1	118.9760	0.000	1	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)2	125.2770	0.000	1	122.0563	7.792	3	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|O<2>}	Se(C[6a]C[6a]2)2	120.4460	0.160	2	122.0563	7.792	3	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]O)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|O<2>}	Se(C[6a]C[6a]2)2	124.5030	0.922	2	124.5030	0.850	2	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a]Se)2(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Se)2(H){1|C<3>,2|O<2>}	Se(C[6a]C[6a]2)2	121.2097	1.893	4	121.2097	3.583	4	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)2	119.5470	0.311	2	119.5470	0.097	2	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	119.7133	0.633	4	119.7133	0.401	4	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	120.6695	1.313	2	120.2488	2.041	22	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	120.5087	0.502	4	120.2488	2.041	22	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	120.0832	1.838	12	120.2488	2.041	22	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Se(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	120.2752	0.874	4	120.2488	2.041	22	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.9645	2.639	74	119.9555	7.512	76	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	119.6195	7.387	2	119.9555	7.512	76	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Se(C[6a]C[6a]2)2	119.9780	1.984	6	120.1058	6.418	112	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)2	119.8457	3.698	8	120.1058	6.418	112	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>}	Se(C[6a]C[6a]2)2	119.7835	4.334	4	120.1058	6.418	112	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)2	120.0434	2.526	72	120.1058	6.418	112	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Se(C[6a]C[6a]2)2	120.2818	1.759	8	120.1058	6.418	112	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a]2)2	120.4945	2.315	12	120.1058	6.418	112	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)2	121.3875	0.542	2	120.1058	6.418	112	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	120.0665	0.977	2	119.8228	1.581	26	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.7186	1.059	16	119.8228	1.581	26	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Se(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	119.9702	1.744	8	119.8228	1.581	26	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]N[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(SeC[6a]){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	Se(C[6a]C[6a]2)2	120.6658	2.259	4	120.6658	5.104	4	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(SeC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Se(C[6a]C[6a]2)2	120.5482	1.769	4	120.5482	3.129	4	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]O)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|O<2>}	Se(C[6a]C[6a]2)2	117.4475	0.346	2	117.4475	0.120	2	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	Se(C[6a]C[6a]2)2	119.6960	0.000	1	119.6960	0.000	1	120.0437	5.510	297	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-3:	C[6a](C[6a]C[6a]H)2(SeP[6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(P[6]C[5,6]2)	C[6a](C[6a]C[6a]H)2(SeP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(P[6]C[5,6]2)	119.9688	1.147	4	119.9688	1.316	4	119.9688	1.316	4	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	Ge[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeGe[5a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(Ge[5a]N[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeGe[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(Ge[5a]N[5a]2)(C[6a]C[6a]2)	120.4985	0.465	2	120.4985	0.216	2	120.4985	0.216	2	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:3:	C[6a]-3:C[6a]-3:Se-2:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(SeC[6a])	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]Se)(O)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(SeC[6a]){1|C<4>,4|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]Se)(O){3|C<3>}	Se(C[6a]C[6a]2)2	117.0850	0.000	1	117.0850	0.000	1	117.0850	0.000	1	119.9699	5.952	518	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC)	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(CH3)	115.7980	0.000	1	115.1525	0.833	2	115.1525	0.833	2	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC)	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC){1|Se<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(CH3)	114.5070	0.000	1	115.1525	0.833	2	115.1525	0.833	2	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[5])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)	118.0530	0.815	2	118.0530	0.664	2	118.0530	0.664	2	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a]2)(CH3)	121.0710	0.489	2	121.0710	0.239	2	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	Se(C[6a]C[6a]2)(CCHH)	118.7500	0.000	1	118.7500	0.000	1	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H)	Se(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	Se(C[6a]C[6a]2)(CH3)	122.3895	0.747	2	122.3895	0.559	2	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC3)	119.5305	1.637	2	119.5305	2.680	2	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CCCH)	120.4872	2.260	12	120.4872	5.107	12	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CCHH)	120.3436	2.337	26	120.3436	5.459	26	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CCHS)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CCHS)	119.7060	3.001	2	119.7060	9.006	2	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CC[5]CH)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[5]CH)	120.1430	0.982	4	120.1430	0.963	4	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CC[5]HH)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[5]HH)	120.4786	2.171	14	120.4786	4.713	14	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CC[5a]HH)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[5a]HH)	119.9580	4.241	2	119.9580	17.988	2	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6]HH)	120.0451	0.898	8	120.0451	0.806	8	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6a]HH)	120.0692	3.423	12	120.0692	11.720	12	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>}	Se(C[6a]C[6a]2)(CH3)	119.8490	4.736	2	119.8490	22.432	2	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CN[5]HH)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CN[5]HH)	120.0781	1.101	15	120.0781	1.212	15	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CN[6]HH)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CN[6]HH)	119.7075	0.627	2	119.7075	0.393	2	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CSe2C)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CSe2C)	119.7420	3.235	6	119.7420	10.468	6	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(CSe2H)	C[6a](C[6a]C[6a]H)2(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CSe2H)	119.9150	1.270	2	119.9150	1.613	2	120.2269	4.740	114	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[3]-4:	C[6a](C[6a]C[6a]H)2(SeC[3])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(C[3]C[3]2C)	C[6a](C[6a]C[6a]H)2(SeC[3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(C[3]C[3]2C)	119.9005	2.454	2	119.9005	6.024	2	119.9005	6.024	2	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(C[5]C[5]2C)	C[6a](C[6a]C[6a]H)2(SeC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(C[5]C[5]2C)	119.7879	0.870	8	119.7879	0.757	8	119.9244	5.348	14	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:	C[6a](C[6a]C[6a]H)2(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(C[5]C[5]2H)	C[6a](C[6a]C[6a]H)2(SeC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(C[5]C[5]2H)	120.1065	3.574	6	120.1065	12.775	6	119.9244	5.348	14	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(SeC[6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)2(SeC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)(C[6]C[6]2H)	120.5080	2.705	2	120.1875	3.060	14	120.1875	3.060	14	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(SeC[6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)2(SeC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(C[6]C[6]2H)	120.1341	1.711	12	120.1875	3.060	14	120.1875	3.060	14	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ga-4:	C[6a](C[6a]C[6a]H)2(SeGa)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(GaSeCC)	C[6a](C[6a]C[6a]H)2(SeGa){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(GaSeCC)	120.5960	2.113	4	120.5960	4.463	4	120.5960	4.463	4	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ge-4:	C[6a](C[6a]C[6a]H)2(SeGe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(GeSeNN)	C[6a](C[6a]C[6a]H)2(SeGe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(GeSeNN)	120.1897	0.979	12	120.1897	0.958	12	120.1897	0.958	12	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:In-4:	C[6a](C[6a]C[6a]H)2(SeIn)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(InSe2P)	C[6a](C[6a]C[6a]H)2(SeIn){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(InSe2P)	120.1990	2.466	6	120.1990	6.081	6	120.1146	5.071	8	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:In-4:	C[6a](C[6a]C[6a]H)2(SeIn)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(InSe3)	C[6a](C[6a]C[6a]H)2(SeIn){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(InSe3)	119.8615	2.218	2	119.8615	4.920	2	120.1146	5.071	8	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(SeP)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(PC3)	C[6a](C[6a]C[6a]H)2(SeP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(PC3)	119.9327	3.004	6	119.9327	9.023	6	119.5430	2.693	35	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(SeP)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(PC[6]3)	C[6a](C[6a]C[6a]H)2(SeP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(PC[6]3)	118.9580	0.342	2	118.9580	0.117	2	119.5430	2.693	35	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(SeP)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(PC[6a]2C)	C[6a](C[6a]C[6a]H)2(SeP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(PC[6a]2C)	119.6740	0.707	4	119.6740	0.500	4	119.5430	2.693	35	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(SeP)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)2(SeP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(PC[6a]3)	119.3866	1.647	14	119.5041	2.316	17	119.5430	2.693	35	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(SeP)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)2(SeP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Se(C[6a]C[6a]2)(PC[6a]3)	120.0523	0.593	3	119.5041	2.316	17	119.5430	2.693	35	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(SeP)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(PC[6a]SeC)	C[6a](C[6a]C[6a]H)2(SeP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(PC[6a]SeC)	119.2930	1.119	2	119.2930	1.251	2	119.5430	2.693	35	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(SeP)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(PN[5]2C)	C[6a](C[6a]C[6a]H)2(SeP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(PN[5]2C)	119.5200	2.135	2	119.5200	4.560	2	119.5430	2.693	35	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(SeP)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(PN[5]3)	C[6a](C[6a]C[6a]H)2(SeP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(PN[5]3)	119.3005	0.168	2	119.3005	0.028	2	119.5430	2.693	35	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(SeP[6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(SeP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(P[6]O[6]2O)	120.1280	2.111	2	120.1280	4.458	2	120.1225	2.065	22	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(SeP[6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(P[6]O[6]2S)	C[6a](C[6a]C[6a]H)2(SeP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(P[6]O[6]2S)	120.2292	1.547	16	120.2292	2.393	16	120.1225	2.065	22	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(SeP[6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(P[6]S[6]2O)	C[6a](C[6a]C[6a]H)2(SeP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(P[6]S[6]2O)	119.9430	0.221	2	119.9430	0.049	2	120.1225	2.065	22	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[6]-4:	C[6a](C[6a]C[6a]H)2(SeP[6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(P[6]S[6]2S)	C[6a](C[6a]C[6a]H)2(SeP[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(P[6]S[6]2S)	119.4425	1.334	2	119.4425	1.780	2	120.1225	2.065	22	120.0259	4.023	229	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:5:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-5:	C[6a](C[6a]C[6a]H)2(SeB)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(BMo2BH)	C[6a](C[6a]C[6a]H)2(SeB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(BMo2BH)	120.1845	2.531	2	120.1845	6.405	2	120.1845	6.405	2	120.1845	6.405	2	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	3:6:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-6:	C[6a](C[6a]C[6a]H)2(SeB)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6a]C[6a]2)(BMo2BHH)	C[6a](C[6a]C[6a]H)2(SeB){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(BMo2BHH)	120.5630	6.474	2	120.5630	41.916	2	120.5630	41.916	2	120.5630	41.916	2	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[3x6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	Se(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	120.5502	6.639	6	120.3735	36.721	12	120.3735	36.721	12	120.3080	13.958	33	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[3x6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	Se(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	120.3810	7.432	2	120.3735	36.721	12	120.3735	36.721	12	120.3080	13.958	33	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[3x6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	120.1155	8.212	2	120.3735	36.721	12	120.3735	36.721	12	120.3080	13.958	33	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[3x6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[3x6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Se(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	120.0940	7.773	2	120.3735	36.721	12	120.3735	36.721	12	120.3080	13.958	33	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[5,6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[5,6]C[5,5,6]2H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[5,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[5,6]C[5,5,6]2H)(C[6a]C[6a]2)	119.9240	3.441	2	119.9240	11.839	2	120.0418	4.125	4	120.3080	13.958	33	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[5,6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[5,6]C[5,6]O[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[5,6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[5,6]C[5,6]O[5,6]C[5])(C[6a]C[6a]2)	120.1595	0.692	2	120.1595	0.479	2	120.0418	4.125	4	120.3080	13.958	33	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	Se(C[5]C[5]2Fe)(C[6a]C[6a]2)	120.7840	0.000	1	120.7840	0.000	1	120.1854	3.971	7	120.3080	13.958	33	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[5]C[5,6]C[5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[5]C[5,6]C[5]C)(C[6a]C[6a]2)	119.8330	0.314	2	119.8330	0.099	2	120.1854	3.971	7	120.3080	13.958	33	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[5]C[5]2Fe)(C[6a]C[6a]2)	120.2120	2.776	4	120.2120	7.706	4	120.1854	3.971	7	120.3080	13.958	33	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)	120.0765	0.722	2	120.0765	0.521	2	120.0812	0.231	4	120.3080	13.958	33	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeC[6])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(C[6]C[6]O[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeC[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	Se(C[6]C[6]O[6]H)(C[6a]C[6a]2)	120.0860	0.416	2	120.0860	0.173	2	120.0812	0.231	4	120.3080	13.958	33	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	Ge[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeGe[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(Ge[5]N[5]2S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeGe[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(Ge[5]N[5]2S)(C[6a]C[6a]2)	120.8420	0.564	2	120.8420	0.318	2	120.8900	0.441	4	120.3080	13.958	33	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	Ge[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeGe[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(Ge[5]N[5]2Se)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeGe[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(Ge[5]N[5]2Se)(C[6a]C[6a]2)	120.9380	0.997	2	120.9380	0.994	2	120.8900	0.441	4	120.3080	13.958	33	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	Si[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeSi[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(Si[5]N[5]S[5]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeSi[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(Si[5]N[5]S[5]C)(C[6a]C[6a]2)	120.1660	1.568	2	120.1660	2.460	2	120.1660	2.460	2	120.3080	13.958	33	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:1:	6:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	B[5x3]-6:C[6a]-3:	C[6a](C[6a]C[6a]H)2(SeB[5x3])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	Se(B[5x3]Nb[15x3]2B[5x3]H[3]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SeB[5x3]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	Se(B[5x3]Nb[15x3]2B[5x3]H[3]2)(C[6a]C[6a]2)	120.6940	4.555	2	120.6940	20.750	2	120.6940	20.750	2	120.6940	20.750	2	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:1:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeH)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OFe)	Se(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeH){1|Se<2>,2|C<3>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OFe){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(H)	118.7930	0.000	1	118.7930	0.000	1	118.7930	0.000	1	118.7930	0.000	1	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	114.6177	0.961	3	114.6177	0.924	3	114.7678	0.557	5	114.7678	0.557	5	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC[6])	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC[6]){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	114.9930	0.461	2	114.9930	0.213	2	114.7678	0.557	5	114.7678	0.557	5	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(OH)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(SeC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	120.4615	1.090	2	120.4615	1.187	2	120.4615	1.187	2	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]2)(O[6a]C[6a])	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O[6a])(SeC[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	120.1780	0.000	1	120.1780	0.000	1	120.1780	0.000	1	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(SeC[6])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6a])	Se(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(SeC[6]){2|Se<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6a]){1|Se<2>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	119.4520	0.000	1	119.4520	0.000	1	119.4520	0.000	1	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6])	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(SeC[6a]){2|Se<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6]){1|Se<2>,2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(SeC[6a])	Se(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6]){1|Se<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(SeC[6a]){2|Se<2>,3|C<3>}	Se(C[6a]C[6a]2)(C[6]C[6]2)	118.2560	0.000	1	118.2560	0.000	1	118.2560	0.000	1	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(SeC[6])	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6a]){1|Se<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(SeC[6]){2|Se<2>,3|C<3>}	Se(C[6a]C[6a]2)2	121.3420	0.000	1	121.3420	0.000	1	121.3420	0.000	1	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC){1|Cl<1>,1|C<3>,1|H<1>}	Se(C[6a]C[6a]2)2	120.3430	0.000	1	120.3430	0.000	1	120.6773	0.707	3	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NN)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NN){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)2	120.8445	1.117	2	120.8445	1.247	2	120.6773	0.707	3	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>}	Se(C[6a]C[6a]2)2	118.1520	0.000	1	118.1520	0.000	1	118.4349	6.596	12	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)2	115.0520	0.000	1	115.7434	0.958	5	118.4349	6.596	12	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|Se<2>,1|C<3>,1|H<1>}	Se(C[6a]C[6a]2)2	115.5870	1.293	2	115.7434	0.958	5	118.4349	6.596	12	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)2	115.4940	0.000	1	115.7434	0.958	5	118.4349	6.596	12	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)2	116.9970	0.000	1	115.7434	0.958	5	118.4349	6.596	12	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH){1|C<3>,1|F<1>,1|H<1>}	Se(C[6a]C[6a]2)2	121.3620	0.000	1	120.7250	0.190	6	118.4349	6.596	12	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)2	120.9515	0.216	2	120.7250	0.190	6	118.4349	6.596	12	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SeC[6a]){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)2	120.3617	0.026	3	120.7250	0.190	6	118.4349	6.596	12	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6a])	Se(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6]){1|Se<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6a]){1|Se<2>,2|C<3>}	Se(C[6a]C[6a]2)(C[6]C[6]2)	121.0710	0.000	1	121.0710	0.000	1	121.0710	0.000	1	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6])	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6a]){1|Se<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]Se)(SeC[6]){1|Se<2>,2|C<3>}	Se(C[6a]C[6a]2)2	120.2900	0.000	1	120.2900	0.000	1	122.0030	2.280	3	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(SeC[6a])	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)2	122.8595	0.398	2	122.8595	0.158	2	122.0030	2.280	3	119.6382	5.035	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:4:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(SeC)	C[6a](C[6a]C[6a,6a]Se)(C[6a]N[6a]H)(SC)	Se(C[6a]C[6a,6a]C[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)(SeC){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]N[6a]H)(SC){2|C<3>}	Se(C[6a]C[6a,6a]C[6a])(CCHH)	119.5230	0.000	1	119.5230	0.000	1	119.5230	0.000	1	119.9469	0.226	13	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:2:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]Se)2(SeC)	C[6a](C[6a]C[6a]Se)2(SeC)	Se(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]Se)2(SeC){2|Se<2>,1|C<3>}	C[6a](C[6a]C[6a]Se)2(SeC){2|Se<2>,1|C<3>}	Se(C[6a]C[6a]2)(CC3)	119.9823	0.479	12	119.9823	0.229	12	119.9823	0.229	12	119.9469	0.226	13	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeSe)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeSe){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	119.7548	1.069	4	119.7548	1.143	4	119.7548	1.143	4	119.8373	5.077	31	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(COO)	Se(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CN)	118.2480	0.000	1	118.2480	0.000	1	118.2480	0.000	1	119.8373	5.077	31	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	119.5800	0.536	2	119.5800	0.287	2	118.7754	1.464	10	119.8373	5.077	31	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	Se(C[6a]C[6a]2)(SeC[6a])	119.1980	0.000	1	117.9090	1.059	5	118.7754	1.464	10	119.8373	5.077	31	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	117.5867	0.849	4	117.9090	1.059	5	118.7754	1.464	10	119.8373	5.077	31	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(COO)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	120.3270	0.000	1	120.3270	0.000	1	118.7754	1.464	10	119.8373	5.077	31	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|N<3>}	Se(C[6a]C[6a]2)(SeC[6a])	119.3610	0.711	2	119.3610	0.506	2	118.7754	1.464	10	119.8373	5.077	31	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Ge-2:	C[6a](C[6a]C[6a]2)2(SeGe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]2)(C[6a]C[6a]H)	Se(C[6a]C[6a]2)(GeSe)	C[6a](C[6a]C[6a]2)2(SeGe){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	Se(C[6a]C[6a]2)(GeSe)	119.8957	4.174	4	119.8957	17.426	4	119.8957	17.426	4	119.8373	5.077	31	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]2)2(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]2)(C[6a]C[6a]H)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]2)2(SeSe){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	Se(C[6a]C[6a]2)(SeC[6a])	119.5740	6.225	2	119.5740	38.755	2	119.5740	38.755	2	119.8373	5.077	31	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NOO)	Se(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CN)	120.5300	0.499	2	120.5300	0.249	2	120.5300	0.249	2	119.8373	5.077	31	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH){1|H<1>,2|C<3>}	Se(C[6a]C[6a]2)(SeC[6a])	120.4770	0.223	2	120.4770	0.050	2	121.2681	1.874	8	119.8373	5.077	31	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCC)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	118.8010	0.000	1	118.8010	0.000	1	121.2681	1.874	8	119.8373	5.077	31	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	122.0780	0.782	5	122.0780	0.612	5	121.2681	1.874	8	119.8373	5.077	31	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Se)(C[6a]C[6a]2)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(SeC[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Se)(C[6a]C[6a]2){3|H<1>,6|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.9393	0.239	3	118.9393	0.057	3	118.9393	0.057	3	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]N[6a]Se)(C[6a]C[6a]2)	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SeC[6a]){1|Se<2>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]Se)(C[6a]N[6a]Se)(C[6a]C[6a]2){2|H<1>,4|C<3>}	Se(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	118.1310	0.000	1	118.1310	0.000	1	118.1310	0.000	1	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(C[6a]C[6a]2)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(C[6a]C[6a]2){4|H<1>,5|C<3>}	Se(C[6a]C[6a]2)2	117.8290	0.000	1	117.8290	0.000	1	120.7565	3.908	4	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(C[6a]C[6a]2)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(SeC[6a]){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	Se(C[6a]C[6a]2)2	121.3060	0.000	1	121.3060	0.000	1	120.7565	3.908	4	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(SeC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(C[6a]C[6a]2)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(SeC[6a]){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(C[6a]C[6a]2){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	Se(C[6a]C[6a]2)2	121.9455	0.153	2	121.9455	0.024	2	120.7565	3.908	4	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(CNO)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(CNO){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)2	116.8330	0.000	1	116.8330	0.000	1	121.3001	2.920	19	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(COO)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(COO){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)2	121.3940	0.000	1	121.3940	0.000	1	121.3001	2.920	19	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)2	120.6790	0.140	2	120.6790	0.020	2	121.3001	2.920	19	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)2	122.0465	1.560	6	122.0465	2.434	6	121.3001	2.920	19	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]N)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]N){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)2	118.9690	0.000	1	118.9690	0.000	1	121.3001	2.920	19	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)2(COO)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a]){1|Se<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Se)2(COO){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)2	121.8983	0.632	4	121.8983	0.399	4	121.3001	2.920	19	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)2(CNO)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(SeC[6a]){1|Se<2>,1|C<3>}	C[6a](C[6a]C[6a]Se)2(CNO){1|N<2>,2|H<1>}	Se(C[6a]C[6a]2)2	121.9150	0.858	2	121.9150	0.737	2	121.3001	2.920	19	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(COO)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>}	Se(C[6a]C[6a]2)2	121.2225	2.592	2	121.2225	6.716	2	121.3001	2.920	19	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NHH){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)2	120.6045	0.033	2	120.6045	0.001	2	121.6765	1.860	4	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NOO)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)2	122.7485	0.991	2	122.7485	0.981	2	121.6765	1.860	4	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:Se-2:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(SeC[6a])	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(SeC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	Se(C[6a]C[6a]2)2	121.3263	1.819	4	121.3263	3.308	4	121.3263	3.308	4	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:Se-2:	P[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(SeC[6a])	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a]2)2	C[6a](C[6a]P[6,6]C[6a])(C[6a]C[6a]H)(SeC[6a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](P[6,6]C[3x6]2)(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	Se(C[6a]C[6a]2)2	119.6780	0.000	1	119.6780	0.000	1	119.6780	0.000	1	120.9546	3.050	36	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeC)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H)	Se(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeC){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]Se)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	Se(C[6a]C[6a]2)(CCHH)	122.7270	0.000	1	122.7270	0.000	1	122.7270	0.000	1	119.8842	4.102	5	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN)	Se(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CH3)	120.3190	0.000	1	120.3190	0.000	1	120.4260	0.023	2	119.8842	4.102	5	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO)	Se(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CNO){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CH3)	120.5330	0.000	1	120.5330	0.000	1	120.4260	0.023	2	119.8842	4.102	5	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C)	Se(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SeC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CH3)	117.9210	0.099	2	117.9210	0.010	2	117.9210	0.010	2	119.8842	4.102	5	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Br-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeBr)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH)	Se(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeBr){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(Br)	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	116.7003	8.246	3	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:1:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:I-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeI)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH)	Se(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeI){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(I)	115.0530	0.458	2	115.0530	0.210	2	115.0530	0.210	2	116.7003	8.246	3	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CBrHH)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CBrHH){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	118.3985	1.203	2	118.3985	1.447	2	118.9034	1.397	22	119.1611	1.770	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CClHH)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CClHH){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	118.4567	0.719	4	118.4567	0.517	4	118.9034	1.397	22	119.1611	1.770	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN)	Se(C[6a]C[6a]2)(SeSe)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(SeSe)	117.3610	0.331	2	117.3610	0.110	2	118.9034	1.397	22	119.1611	1.770	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHO)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHO){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	121.5070	0.598	2	121.5070	0.358	2	118.9034	1.397	22	119.1611	1.770	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	118.0217	0.055	4	118.0217	0.003	4	118.9034	1.397	22	119.1611	1.770	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)2(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CCCH)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C)2(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	Se(C[6a]C[6a]2)(SeC[6a])	119.4938	0.250	4	119.4938	0.062	4	118.9034	1.397	22	119.1611	1.770	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C)2(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C)2(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	Se(C[6a]C[6a]2)(SeC[6a])	119.3632	0.482	4	119.3632	0.232	4	118.9034	1.397	22	119.1611	1.770	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(C[5]O[5]2H)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(SeSe){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	119.4545	0.548	2	119.4545	0.300	2	119.4545	0.300	2	119.1611	1.770	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:2:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SeSe)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(SCOO)	Se(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SeSe){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(SCOO){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(SeC[6a])	121.7025	0.260	2	121.7025	0.067	2	121.7025	0.067	2	119.1611	1.770	26	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(CH3)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)2	122.7610	0.000	1	122.7610	0.000	1	120.3660	2.153	15	120.3660	2.153	15	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)2	121.0120	0.000	1	121.0120	0.000	1	120.3660	2.153	15	120.3660	2.153	15	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)2	120.3063	1.608	6	120.3063	2.584	6	120.3660	2.153	15	120.3660	2.153	15	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,2|O<2>}	Se(C[6a]C[6a]2)2	122.5700	0.000	1	122.5700	0.000	1	120.3660	2.153	15	120.3660	2.153	15	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	Se(C[6a]C[6a]2)2	119.5210	0.239	2	119.4853	0.716	4	120.3660	2.153	15	120.3660	2.153	15	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	Se(C[6a]C[6a]2)2	119.4495	1.445	2	119.4853	0.716	4	120.3660	2.153	15	120.3660	2.153	15	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	3:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(SeC[6a])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHO)	Se(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(SeC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHO){1|C<3>,2|C<4>}	Se(C[6a]C[6a]2)2	119.6840	0.062	2	119.6840	0.004	2	120.3660	2.153	15	120.3660	2.153	15	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3)	Se(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SeC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	Se(C[5]C[5]2Fe)(C[6a]C[6a]2)	118.8790	0.000	1	118.8790	0.000	1	119.5633	2.137	3	119.5633	2.137	3	120.0023	5.933	1105	120.0849	5.933	1174
643	643	921	0:SP2_SP2_SP3	C[6a]	C[6a]	Se	3:3:2:	3:3:4:	4:3:	C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]C)2(SeC[5])	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3)	Se(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(SeC[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	Se(C[5]C[5]2Fe)(C[6a]C[6a]2)	119.9055	1.890	2	119.9055	3.572	2	119.5633	2.137	3	119.5633	2.137	3	120.0023	5.933	1105	120.0849	5.933	1174