643	643	942	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga[6]	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:Ga[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]2)2(Ga[6]C[6]2)	C[6a](C[6a]C[6a]Ga[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	Ga[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]2)2(Ga[6]C[6]2){2|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]Ga[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	Ga[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Ga<3>,4|C<3>,4|H<1>}	120.2020	1.713	4	120.2020	2.934	4	120.2020	2.934	4	120.2020	2.934	4	120.6724	3.601	8	120.6724	3.601	8
643	643	942	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga[6]	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C[6a]-3:Ga[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]2)2(Ga[6]C[6]2)	C[6a](C[6a]C[6a]Ga[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]2)2(Ga[6]C[6]2){2|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]Ga[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|Ga<3>,3|H<1>,7|C<3>}	120.6315	3.289	2	120.6315	10.816	2	120.6315	10.816	2	120.6315	10.816	2	120.6724	3.601	8	120.6724	3.601	8
643	643	942	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga[6]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:Ga[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]C)2(Ga[6]C[6]2)	C[6a](C[6a]C[6a]Ga[6])(C[6a]C[6a]H)(CH3)	Ga[6](C[6a]C[6a]2)(C[6]C[6]Si)2	C[6a](C[6a]C[6a]C)2(Ga[6]C[6]2){2|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Ga[6])(C[6a]C[6a]H)(CH3){2|C<4>,3|C<3>}	Ga[6](C[6a]C[6a]2)(C[6]C[6]Si)2{2|C<4>,2|H<1>,3|C<3>}	121.6540	1.665	2	121.6540	2.771	2	121.6540	2.771	2	121.6540	2.771	2	120.6724	3.601	8	120.6724	3.601	8
643	643	943	0:SP2_SP-NON_SP2	C[6,6a]	C[6a]	Ga[6,6]	4:3:3:	3:3:1:	3:3:2:1:	Ga[6,6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:Cl[6,6]-2:Cl-1:	C[6,6a](Ga[6,6]Cl[6,6]N[6,6]Cl)(C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)	C[6a](C[6,6a]C[6,6,6a]Ga[6,6])(C[6a]C[6a]H)(H)	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl)	C[6,6a](Ga[6,6]Cl[6,6]N[6,6]Cl)(C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6,6a]Ga[6,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|Cl<2>,1|C<3>,1|H<1>,2|N<3>}	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl){1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	111.3250	1.901	2	111.3250	3.613	2	111.3250	3.613	2	111.3250	3.613	2	111.3250	3.613	2	117.1455	47.601	4
643	643	943	0:SP2_SP-NON_SP2	C[6a]	C[6a]	Ga[6]	4:3:3:	3:3:1:	3:3:3:4:	Ga[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	N[6]-3:N[6]-3:C[6a]-3:C-4:	C[6a](Ga[6]N[6]2C)(C[6a]C[6a]F)2	C[6a](C[6a]C[6a]Ga[6])(C[6a]C[6a]F)(F)	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO)	C[6a](Ga[6]N[6]2C)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]Ga[6])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,2|F<1>,2|N<3>}	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO){2|C<4>,2|F<1>,7|C<3>}	122.9660	1.918	2	122.9660	3.677	2	122.9660	3.677	2	122.9660	3.677	2	122.9660	3.677	2	117.1455	47.601	4
643	643	943	6:SP2_SP-NON_SP2	C[6,6a]	C[6,6,6a]	Ga[6,6]	4:3:3:	3:3:3:	3:3:2:1:	Ga[6,6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:Cl[6,6]-2:Cl-1:	C[6,6a](Ga[6,6]Cl[6,6]N[6,6]Cl)(C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]Ga[6,6]C[6a])(N[6,6]Ga[6,6]C[6])(C[6,6a]C[6a]C[6])	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl)	C[6,6a](Ga[6,6]Cl[6,6]N[6,6]Cl)(C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6a]Ga[6,6]C[6a])(N[6,6]Ga[6,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<2>,2|Cl<1>,1|N<3>,3|C<3>,4|H<1>}	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl){1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	130.7785	2.058	2	130.7785	4.237	2	130.7785	4.237	2	130.7785	4.237	2	130.7785	4.237	2	130.7785	4.237	2
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]I)(N[6]S[6])	I(C[6a]C[6,6a]C[6a])	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>}	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>}	I(C[6a]C[6,6a]C[6a])	118.6100	0.000	1	118.6100	0.000	1	118.6100	0.000	1	118.6100	0.000	1	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(I)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]I)(C[6]C[6]H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]I)(C[6]C[6]H){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	I(C[6a]C[6,6a]C[6a])	119.1480	0.361	2	119.1480	0.130	2	119.1480	0.130	2	123.5943	7.557	22	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(I)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]I)(C[6]C[6]O)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]I)(C[6]C[6]O){2|H<1>,4|C<3>}	I(C[6a]C[6,6a]C[6a])	123.7770	0.000	1	123.7770	0.000	1	123.7770	0.000	1	123.5943	7.557	22	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(I)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]I)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(I){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]I){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	I(C[6a]C[6,6a]C[6a])	122.9670	0.000	1	122.9670	0.000	1	122.9670	0.000	1	123.5943	7.557	22	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	I(C[6a]C[6,6a]C[6a])	125.8860	0.000	1	125.8766	1.616	10	124.3139	6.470	15	123.5943	7.557	22	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	I(C[6a]C[6,6a]C[6a])	128.1280	0.170	2	125.8766	1.616	10	124.3139	6.470	15	123.5943	7.557	22	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|I<1>,1|O<1>,2|C<3>,2|H<1>}	I(C[6a]C[6,6a]C[6a])	125.7210	0.253	2	125.8766	1.616	10	124.3139	6.470	15	123.5943	7.557	22	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	I(C[6a]C[6,6a]C[6a])	125.3010	0.000	1	125.8766	1.616	10	124.3139	6.470	15	123.5943	7.557	22	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	I(C[6a]C[6,6a]C[6a])	125.4560	0.000	1	125.8766	1.616	10	124.3139	6.470	15	123.5943	7.557	22	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	I(C[6a]C[6,6a]C[6a])	124.8083	0.410	3	125.8766	1.616	10	124.3139	6.470	15	123.5943	7.557	22	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H){1|Ir<8>,1|O<2>,2|C<3>,2|H<1>}	I(C[6a]C[6,6a]C[6a])	119.9760	0.000	1	121.1886	0.693	5	124.3139	6.470	15	123.5943	7.557	22	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H){1|Ni<5>,1|O<2>,2|C<3>,2|H<1>}	I(C[6a]C[6,6a]C[6a])	121.3320	0.000	1	121.1886	0.693	5	124.3139	6.470	15	123.5943	7.557	22	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]I)(C[6]C[6]H){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	I(C[6a]C[6,6a]C[6a])	121.5450	0.671	3	121.1886	0.693	5	124.3139	6.470	15	123.5943	7.557	22	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]H){2|C<3>,4|H<1>}	I(C[6a]C[6,6a]C[6a])	121.3080	0.314	2	121.3080	0.099	2	123.1083	9.773	3	123.5943	7.557	22	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]O)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]O){2|C<3>,4|H<1>}	I(C[6a]C[6,6a]C[6a])	126.7090	0.000	1	126.7090	0.000	1	123.1083	9.773	3	123.5943	7.557	22	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]2H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	I(C[6a]C[6,6a]C[6a])	120.7070	0.000	1	120.7070	0.000	1	120.8990	0.074	2	120.0807	2.046	3	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(I)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]I)(C[6]C[6]CH)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(I){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]I)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	I(C[6a]C[6,6a]C[6a])	121.0910	0.000	1	121.0910	0.000	1	120.8990	0.074	2	120.0807	2.046	3	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6,6a]	I	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6,6a]-3:I-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]I)(C[6]C[6]HH)	I(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(I){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]I)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	I(C[6a]C[6a,6a]C[6,6a])	118.4440	0.000	1	118.4440	0.000	1	118.4440	0.000	1	120.0807	2.046	3	122.9972	8.616	26	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:2:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-2:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]I)	I(C[6a]C[6a,6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(I){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]N[6a]I){1|N<3>,2|C<3>,2|H<1>}	I(C[6a]C[6a,6a]N[6a])	121.2470	0.000	1	121.2470	0.000	1	121.2470	0.000	1	121.2470	0.000	1	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(I)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(I){1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]I){5|C<3>}	I(C[6a]C[6a,6a]C[6a])	116.6960	0.000	1	116.6960	0.000	1	117.4415	1.112	2	118.4460	3.583	3	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:N[6a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O[6a])(I)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O[6a])(I){5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(C[6a]C[6a]I){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.1870	0.000	1	118.1870	0.000	1	117.4415	1.112	2	118.4460	3.583	3	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(I)	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(I){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]I){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	120.4550	0.000	1	120.4550	0.000	1	120.4550	0.000	1	118.4460	3.583	3	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a])	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(I){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]){3|C<3>,3|H<1>}	I(C[6a]C[6a,6a]C[6a])	119.1400	0.000	1	119.1400	0.000	1	119.4080	0.144	2	120.5928	0.980	6	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a])	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(I){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]){1|O<2>,2|C<3>,3|H<1>}	I(C[6a]C[6a,6a]C[6a])	119.6760	0.000	1	119.6760	0.000	1	119.4080	0.144	2	120.5928	0.980	6	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(I)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]I)(O[6a]C[6a])	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(I){1|Cl<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]I)(O[6a]C[6a]){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	121.0220	0.000	1	121.0220	0.000	1	121.1852	0.181	4	120.5928	0.980	6	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(O[6a]C[6a])	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(I){1|I<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(O[6a]C[6a]){1|O<1>,2|C<3>,3|H<1>}	I(C[6a]C[6a,6a]C[6a])	121.7010	0.000	1	121.7010	0.000	1	121.1852	0.181	4	120.5928	0.980	6	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(O[6a]C[6a])	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(I){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(O[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	I(C[6a]C[6a,6a]C[6a])	120.7020	0.000	1	121.0090	0.188	2	121.1852	0.181	4	120.5928	0.980	6	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(O[6a]C[6a])	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(I){1|I<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]I)(O[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	I(C[6a]C[6a,6a]C[6a])	121.3160	0.000	1	121.0090	0.188	2	121.1852	0.181	4	120.5928	0.980	6	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6,6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(I)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]I)(C[6a]C[6a]H)	I(C[6a]C[6a,6a]C[6,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(I){2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]I)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	I(C[6a]C[6a,6a]C[6,6a])	118.6960	0.000	1	118.6960	0.000	1	118.6960	0.000	1	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[3x6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(I)	C[6a,6a](C[3x6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(I){5|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]I){1|H<1>,1|I<1>,6|C<3>}	I(C[6a]C[6a,6a]C[6a])	122.7755	0.549	2	122.7755	0.302	2	122.7755	0.302	2	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(I)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(I){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]I){2|H<1>,4|C<3>}	I(C[6a]C[6a,6a]C[6a])	120.0075	0.056	2	120.0075	0.003	2	120.0075	0.003	2	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[5,6a,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)(I)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(I){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]I){2|C<3>,2|C<4>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	124.4420	0.000	1	124.4420	0.000	1	125.2166	1.381	5	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[5,6a,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)(I)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]I)(C[6a]C[6a]S)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(I){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]I)(C[6a]C[6a]S){2|C<3>,2|C<4>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	125.3350	0.000	1	125.3350	0.000	1	125.2166	1.381	5	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[5,6a,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)(I)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]I)2	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(I){1|H<1>,1|I<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]I)2{2|C<3>,2|C<4>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	126.2375	0.951	2	126.2375	0.905	2	125.2166	1.381	5	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[5,6a,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)(I)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(I){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)(C[6a]C[6a]I){2|C<3>,2|C<4>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	123.8310	0.000	1	123.8310	0.000	1	125.2166	1.381	5	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(I)	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(I){1|H<1>,1|N<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){2|H<1>,4|C<3>}	I(C[6a]C[6a,6a]C[6a])	119.8540	0.000	1	119.8540	0.000	1	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(I)	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(I){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]I){5|C<3>}	I(C[6a]C[6a,6a]C[6a])	119.3480	0.000	1	119.3480	0.000	1	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(I)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(I){1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){2|H<1>,4|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.8327	0.074	3	118.8327	0.005	3	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(I)	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(I){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|O<2>,2|C<3>,3|H<1>}	I(C[6a]C[6a,6a]C[6a])	120.1980	0.000	1	120.1980	0.000	1	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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])(I)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(I){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){2|H<1>,4|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.8730	0.000	1	118.8730	0.000	1	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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]I)(I)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]I)(I){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|I<1>,2|H<1>,3|C<3>}	I(C[6a]C[6a,6a]C[6a])	117.8110	0.000	1	117.8110	0.000	1	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(I){1|H<1>,1|I<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){3|C<3>,3|H<1>}	I(C[6a]C[6a,6a]C[6a])	117.7190	0.000	1	117.7190	0.000	1	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(I){1|H<1>,1|I<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){2|H<1>,3|C<3>}	I(C[6a]C[6a,6a]C[6a])	120.0327	0.261	3	120.0327	0.068	3	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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]C)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(I){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	120.3800	0.000	1	120.3800	0.000	1	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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]Cl)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(I){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	119.1695	0.005	2	119.1695	0.000	2	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){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]I){3|C<3>,3|H<1>}	I(C[6a]C[6a,6a]C[6a])	120.2160	0.068	2	120.2160	0.005	2	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|B<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]I){2|C<3>,4|H<1>}	I(C[6a]C[6a,6a]C[6a])	121.7660	0.000	2	121.7660	0.000	2	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]I){2|C<3>,4|H<1>}	I(C[6a]C[6a,6a]C[6a])	126.9450	1.455	2	126.9450	2.118	2	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|I<1>,2|C<3>,3|H<1>}	I(C[6a]C[6a,6a]C[6a])	121.0465	0.281	2	121.2197	0.129	3	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){3|C<3>,3|H<1>}	I(C[6a]C[6a,6a]C[6a])	121.5660	0.000	1	121.2197	0.129	3	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|O<2>,2|C<3>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	121.1290	0.000	1	121.1752	0.528	5	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|C<3>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	121.0520	0.000	1	121.1752	0.528	5	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<3>,2|C<3>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	120.6680	0.421	2	121.1752	0.528	5	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,3|H<1>}	I(C[6a]C[6a,6a]C[6a])	122.3590	0.000	1	121.1752	0.528	5	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[6a,6a](C[6a,6a]N[6a]O[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]I){1|H<1>,3|C<3>}	I(C[6a]C[6a,6a]C[6a])	124.6670	0.000	1	124.6670	0.000	1	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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]N[6a])(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(I){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	118.1310	0.000	1	118.1310	0.000	1	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(I){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|O<2>,2|C<3>,3|H<1>}	I(C[6a]C[6a,6a]C[6a])	121.3140	0.000	1	121.2100	0.020	4	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(I){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|O<2>,2|C<3>,3|H<1>}	I(C[6a]C[6a,6a]C[6a])	121.3490	0.000	1	121.2100	0.020	4	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(I){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,2|H<1>,2|O<2>}	I(C[6a]C[6a,6a]C[6a])	121.0885	0.042	2	121.2100	0.020	4	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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]P)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(I){1|H<1>,1|P<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|I<1>,1|P<4>,2|C<3>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	116.7875	0.617	2	116.7875	0.381	2	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[3])(I)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[3])(I){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	118.9230	0.000	1	118.9230	0.000	1	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(I)	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(I){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	119.0800	0.000	1	119.0800	0.000	1	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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,6a]C[6a])(I)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(I){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	116.3520	0.320	2	116.3520	0.102	2	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(I){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	120.3740	0.000	1	120.4373	0.302	3	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(I){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	120.4690	0.774	2	120.4373	0.302	3	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])(I){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	I(C[6a]C[6a,6a]C[6a])	119.6440	0.685	5	119.6440	0.469	5	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(I)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(I){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	I(C[6a]C[6a,6a]C[6a])	123.7490	0.573	2	123.7490	0.328	2	120.3031	4.891	51	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a]C[6a]N[5a])(C[6a,6a]C[6a]2)(C[6a]C[6a]I){2|C<3>,2|N<2>,4|H<1>}	I(C[6a]C[6a,6a]C[6a])	125.5495	0.016	2	125.5495	0.000	2	125.5495	0.000	2	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a,6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I)	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I){1|H<1>,1|I<1>,3|C<3>}	C[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|O<1>,2|H<1>,3|C<3>}	I(C[6a]C[6a,6a]C[6a])	120.1310	0.000	1	120.1310	0.000	1	120.1310	0.000	1	120.8911	6.651	64	120.7726	6.146	74	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	2:3:1:	2:3:4:	3:	N[6a]-2:C[6a]-3:I-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(I)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)(CCFF)	I(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(I){2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)(CCFF){2|C<3>}	I(C[6a]C[6a]N[6a])	122.7730	0.000	1	122.7730	0.000	1	122.7730	0.000	1	122.7730	0.000	1	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	2:3:1:	3:3:3:	3:	N[6a]-2:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(C[6a]N[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(I){1|I<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(C[6a]N[6a]I){2|H<1>,4|C<3>}	I(C[6a]C[6a]N[6a])	118.9410	0.208	3	118.9410	0.043	3	118.9410	0.043	3	118.9410	0.043	3	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Br)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Br){1|Br<1>,3|C<3>}	I(C[6a]C[6a]N[6a])	121.1545	0.474	2	121.2120	0.356	4	121.2120	0.356	4	120.8729	1.245	15	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Br)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Br){1|I<1>,3|C<3>}	I(C[6a]C[6a]N[6a])	121.2695	0.911	2	121.2120	0.356	4	121.2120	0.356	4	120.8729	1.245	15	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Cl)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(Cl){1|I<1>,3|C<3>}	I(C[6a]C[6a]N[6a])	120.9660	0.296	2	120.9660	0.087	2	120.9660	0.087	2	120.8729	1.245	15	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H){1|C<3>,1|H<1>}	I(C[6a]C[6a]N[6a])	118.5030	0.000	1	118.4900	0.000	2	119.7150	4.502	3	120.8729	1.245	15	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H){1|C<3>,1|H<1>}	I(C[6a]C[6a]N[6a])	118.4770	0.000	1	118.4900	0.000	2	119.7150	4.502	3	120.8729	1.245	15	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(I){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(H){1|C<4>,1|N<2>}	I(C[6a]C[6a]N[6a])	122.1650	0.000	1	122.1650	0.000	1	119.7150	4.502	3	120.8729	1.245	15	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I){1|Br<1>,3|C<3>}	I(C[6a]C[6a]N[6a])	121.2855	0.738	2	121.1947	0.429	6	121.1947	0.429	6	120.8729	1.245	15	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I){1|Cl<1>,3|C<3>}	I(C[6a]C[6a]N[6a])	121.0510	0.556	2	121.1947	0.429	6	121.1947	0.429	6	120.8729	1.245	15	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:1:	3:3:1:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I){1|I<1>,3|C<3>}	I(C[6a]C[6a]N[6a])	121.2475	1.108	2	121.1947	0.429	6	121.1947	0.429	6	120.8729	1.245	15	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OC){1|C<3>,1|H<1>}	I(C[6a]C[6a]N[6a])	119.2980	0.808	3	119.2980	0.653	3	119.2157	0.462	4	119.2157	0.462	4	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:1:	3:3:2:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OH)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(OH){1|C<3>,1|H<1>}	I(C[6a]C[6a]N[6a])	118.9690	0.000	1	118.9690	0.000	1	119.2157	0.462	4	119.2157	0.462	4	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NHH)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NHH){1|Br<1>,1|C<3>}	I(C[6a]C[6a]N[6a])	119.8100	0.000	1	119.8100	0.000	1	122.6190	15.781	2	121.6607	10.646	3	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NOO)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NOO){1|C<3>,1|H<1>}	I(C[6a]C[6a]N[6a])	125.4280	0.000	1	125.4280	0.000	1	122.6190	15.781	2	121.6607	10.646	3	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:1:	3:3:3:	3:	C[6a]-3:N[6a]-2:I-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(I)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]I)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(I){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]N[6a]I){1|H<1>,1|I<1>,3|C<3>}	I(C[6a]C[6a]N[6a])	119.7440	0.000	1	119.7440	0.000	1	119.7440	0.000	1	121.6607	10.646	3	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:2:1:	3:3:4:	3:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(I)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(CH3)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(CH3){1|C<3>,1|C<4>}	I(C[6a]C[6a]N[6a])	119.7260	0.000	1	119.7260	0.000	1	119.7260	0.000	1	119.7260	0.000	1	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	N[6a]-2:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]H)(I)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]H)(I){4|C<3>}	C[6a](N[6a]C[6,6a])(C[6a]C[6a]I)(H){3|C<3>}	I(C[6a]C[6a]2)	118.0820	0.000	1	118.0820	0.000	1	118.0820	0.000	1	116.2120	6.994	2	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	2:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	O[6a]-2:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(I)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]I)(O)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(I){4|C<3>}	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]I)(O){3|C<3>}	I(C[6a]C[6a]2)	114.3420	0.000	1	114.3420	0.000	1	114.3420	0.000	1	116.2120	6.994	2	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	2:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(I)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(I){6|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]I){2|H<1>,5|C<3>}	I(C[6a]C[6a]2)	119.7950	0.000	1	119.7950	0.000	1	119.7950	0.000	1	119.7950	0.000	1	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	2:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	N[6a]-2:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(I)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]I)(CF3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(I){4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]I)(CF3){3|C<3>}	I(C[6a]C[6a]2)	122.5040	0.000	1	122.5040	0.000	1	122.5040	0.000	1	122.5040	0.000	1	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:O[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(I){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(H){1|O<1>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.1050	0.547	2	118.1050	0.300	2	118.1050	0.300	2	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	122.4170	0.161	2	122.5535	0.220	6	122.5535	0.220	6	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	123.0280	0.585	2	122.5535	0.220	6	122.5535	0.220	6	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:Br-1:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Br){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	122.2155	0.131	2	122.5535	0.220	6	122.5535	0.220	6	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl)(I){1|I<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	122.7070	0.000	1	122.7070	0.000	1	121.6977	0.963	7	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(I){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(Cl){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	121.5295	0.958	6	121.5295	0.918	6	121.6977	0.963	7	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	I(C[6a]C[6a]2)	119.2495	0.407	2	119.4952	0.152	14	119.4697	1.735	28	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	I(C[6a]C[6a]2)	119.6505	0.268	2	119.4952	0.152	14	119.4697	1.735	28	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	I(C[6a]C[6a]2)	119.9370	0.173	2	119.4952	0.152	14	119.4697	1.735	28	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	I(C[6a]C[6a]2)	119.6000	0.095	2	119.4952	0.152	14	119.4697	1.735	28	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	I(C[6a]C[6a]2)	119.4040	0.450	2	119.4952	0.152	14	119.4697	1.735	28	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,2|C<3>}	I(C[6a]C[6a]2)	119.2955	0.872	2	119.4952	0.152	14	119.4697	1.735	28	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|I<1>,2|C<3>}	I(C[6a]C[6a]2)	119.3300	0.096	2	119.4952	0.152	14	119.4697	1.735	28	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(I){1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Br<1>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	117.7130	1.502	2	117.7130	2.256	2	119.4697	1.735	28	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(I){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.7935	2.532	2	119.7935	6.412	2	119.4697	1.735	28	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(I){1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	117.1855	1.841	2	117.1855	3.388	2	119.4697	1.735	28	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.6550	0.000	1	119.5950	0.007	2	119.4697	1.735	28	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I){1|I<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	I(C[6a]C[6a]2)	119.5350	0.000	1	119.5950	0.007	2	119.4697	1.735	28	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(I){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	I(C[6a]C[6a]2)	119.9070	0.143	3	119.9070	0.020	3	119.4697	1.735	28	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)2(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)2(I){1|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|Cl<1>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	121.3190	2.277	2	121.3077	2.592	3	119.4697	1.735	28	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)2(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)2(I){1|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>}	I(C[6a]C[6a]2)	121.2850	0.000	1	121.3077	2.592	3	119.4697	1.735	28	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	122.6075	0.252	2	122.5575	0.058	6	122.5575	0.058	6	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	122.7355	0.019	2	122.5575	0.058	6	122.5575	0.058	6	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(I){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	122.3295	0.233	2	122.5575	0.058	6	122.5575	0.058	6	120.4880	3.255	49	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-2:S-2:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(SC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(I){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a])(SC){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	119.6420	0.000	1	119.6420	0.000	1	119.6420	0.000	1	119.6420	0.000	1	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:O[6a]-2:C[6]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C[6])(I)	C[6a](C[6a]C[5a,6a]I)(O[6a]C[6a])(C[6]C[6]2)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C[6])(I){1|C<4>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]I)(O[6a]C[6a])(C[6]C[6]2){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	I(C[6a]C[5a,6a]C[6a])	123.8390	0.000	1	123.8390	0.000	1	123.8390	0.000	1	119.3898	3.765	8	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:O[6a]-2:C-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(I)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCC)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(I){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCC){1|O<1>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.6630	0.000	1	118.6630	0.000	1	118.5175	0.042	2	119.3898	3.765	8	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:O[6a]-2:C-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(I)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCI)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(I){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCI){1|O<1>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.3720	0.000	1	118.3720	0.000	1	118.5175	0.042	2	119.3898	3.765	8	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:O[6a]-2:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])(I)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])(I){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2){1|C<4>,1|O<1>,5|C<3>}	I(C[6a]C[6a,6a]C[6a])	117.9235	0.042	2	118.8488	0.883	5	118.8488	0.883	5	119.3898	3.765	8	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:O[6a]-2:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])(I)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C[5])(I){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(C[5]C[5]2){1|H<1>,1|O<1>,5|C<3>}	I(C[6a]C[6a,6a]C[6a])	119.4657	0.581	3	118.8488	0.883	5	118.8488	0.883	5	119.3898	3.765	8	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:2:4:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:O[6a]-2:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(I)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCHH)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(I){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCHH){1|O<1>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.1350	0.000	1	118.1350	0.000	1	118.1350	0.000	1	118.1350	0.000	1	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	B[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]B[6a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]B[6a,6a]C[6a])	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](C[6a]B[6a,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]B[6a,6a]C[6a])	118.4910	0.000	1	118.4910	0.000	1	118.4910	0.000	1	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	B[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]B[6a]I)(C[6a]C[6a]C)(H)	I(C[6a]B[6a]C[6a])	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(I){1|C<4>,4|C<3>}	C[6a](C[6a]B[6a]I)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]B[6a]C[6a])	118.9740	0.000	1	118.9740	0.000	1	118.9740	0.000	1	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]I)(H)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(I){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]I)(H){1|H<1>,4|C<3>}	I(C[6a]C[5,6a]C[6a])	115.5960	0.563	2	115.5960	0.317	2	115.5960	0.317	2	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	I(C[6a]C[5,6a]C[6a])	112.9440	1.025	2	114.4787	7.591	3	118.6622	7.973	13	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	I(C[6a]C[5,6a]C[6a])	117.5480	0.000	1	114.4787	7.591	3	118.6622	7.973	13	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	I(C[6a]C[5,6a]C[6a])	120.4700	0.000	1	120.3607	0.519	3	118.6622	7.973	13	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[5,6a]C[6a])	120.3060	1.010	2	120.3607	0.519	3	118.6622	7.973	13	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]I)(C[6a]N[6a]H)(H)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]C[5,6a]I)(C[6a]N[6a]H)(H){2|C<3>}	I(C[6a]C[5,6a]C[6a])	118.8600	0.000	1	118.8600	0.000	1	118.6622	7.973	13	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]C)(H)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){2|C<3>,3|C<4>}	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[5,6a]C[6a])	117.4520	0.000	1	117.4520	0.000	1	118.6622	7.973	13	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[5,6a]C[6a])	119.3830	0.000	1	120.3556	0.614	5	118.6622	7.973	13	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[5,6a]C[6a])	120.8200	0.586	3	120.3556	0.614	5	118.6622	7.973	13	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[5,6a]C[6a])	119.9350	0.000	1	120.3556	0.614	5	118.6622	7.973	13	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(I)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(F)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(I){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(F){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[5a,6a]C[6a])	122.5210	0.000	1	122.5210	0.000	1	122.5210	0.000	1	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6,6a]I)(H)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(I){1|B<4>,1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6,6a]I)(H){1|O<2>,2|C<3>}	I(C[6a]C[5a,6a]C[6a])	120.7195	0.627	2	120.7195	0.393	2	121.7433	1.356	15	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	I(C[6a]C[5a,6a]C[6a])	119.5590	0.000	1	119.5590	0.000	1	121.7433	1.356	15	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[5a,6a]C[6a])	122.3219	0.632	8	122.0960	0.930	12	121.7433	1.356	15	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|N<2>}	I(C[6a]C[5a,6a]C[6a])	121.7275	0.210	2	122.0960	0.930	12	121.7433	1.356	15	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	I(C[6a]C[5a,6a]C[6a])	123.3130	0.000	1	122.0960	0.930	12	121.7433	1.356	15	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[5a,6a]C[6a])	119.8090	0.000	1	122.0960	0.930	12	121.7433	1.356	15	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6,6a]I)(H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6,6a]I)(H){1|O<2>,2|C<3>}	I(C[6a]C[6,6a]C[6a])	120.3935	0.043	2	120.3935	0.002	2	116.2565	6.888	23	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]I)(H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6,6a]I)(H){3|C<3>}	I(C[6a]C[6,6a]C[6a])	114.3260	0.000	1	114.3260	0.000	1	116.2565	6.888	23	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	I(C[6a]C[6,6a]C[6a])	114.3320	0.471	4	114.1625	1.444	11	116.2565	6.888	23	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H){1|I<1>,2|C<3>}	I(C[6a]C[6,6a]C[6a])	113.8580	0.382	2	114.1625	1.444	11	116.2565	6.888	23	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	I(C[6a]C[6,6a]C[6a])	114.5550	0.000	1	114.1625	1.444	11	116.2565	6.888	23	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H){1|O<2>,2|C<3>}	I(C[6a]C[6,6a]C[6a])	113.1957	1.487	3	114.1625	1.444	11	116.2565	6.888	23	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>}	I(C[6a]C[6,6a]C[6a])	116.6010	0.000	1	114.1625	1.444	11	116.2565	6.888	23	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]I)(H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]I)(H){1|O<2>,2|C<3>}	I(C[6a]C[6,6a]C[6a])	118.1198	0.929	5	118.1198	0.864	5	116.2565	6.888	23	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6,6a]C[6a])	114.6920	0.000	1	117.9717	8.149	3	116.2565	6.888	23	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6,6a]C[6a])	119.6115	0.404	2	117.9717	8.149	3	116.2565	6.888	23	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]I)(H)	I(C[6a]C[6,6a]C[6a])	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>}	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6,6a]C[6a])	118.4860	0.000	1	118.4860	0.000	1	116.2565	6.888	23	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(I)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]I)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(I){5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a,6a]I)(H){1|N<3>,1|O<1>,3|C<3>}	I(C[6a]C[6a,6a]C[6a])	115.3540	0.076	2	115.3540	0.006	2	116.1810	2.055	3	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]I)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]H)(I){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]I)(H){2|O<2>,3|C<3>}	I(C[6a]C[6a,6a]C[6a])	117.8350	0.000	1	117.8350	0.000	1	116.1810	2.055	3	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(I)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]I)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(I){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]I)(H){1|O<1>,4|C<3>}	I(C[6a]C[6a,6a]C[6a])	119.3500	0.027	2	119.3500	0.001	2	119.3500	0.001	2	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]I)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]I)(I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]I)(I){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]I)(I){1|H<1>,4|C<3>}	I(C[6a]C[6a,6a]C[6a])	120.7680	0.000	1	120.7680	0.000	1	120.7680	0.000	1	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(Cl)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Cl)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	120.4815	0.344	2	120.4815	0.119	2	120.4815	0.119	2	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[5,6a]H)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(I){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	115.3010	0.000	1	113.1404	2.793	5	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[5,6a]H)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(I){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	112.7000	1.360	2	113.1404	2.793	5	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[5,6a]H)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(I){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	111.1880	0.000	1	113.1404	2.793	5	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[5,6a]H)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(I){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	113.8130	0.000	1	113.1404	2.793	5	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	114.7180	0.000	2	115.7519	6.683	14	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	111.4465	0.179	2	115.7519	6.683	14	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	113.2730	0.082	2	115.7519	6.683	14	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H){1|N<2>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.4290	0.000	1	115.7519	6.683	14	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H){1|N<3>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.4015	0.087	2	115.7519	6.683	14	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	117.4615	0.764	4	115.7519	6.683	14	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H){3|C<3>}	I(C[6a]C[6a,6a]C[6a])	116.5730	0.000	1	115.7519	6.683	14	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(H){1|O<2>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.1320	0.000	1	118.1320	0.000	1	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]N[6a]H)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]I)(C[6a]N[6a]H)(H){2|C<3>}	I(C[6a]C[6a,6a]C[6a])	115.6360	0.000	1	116.7585	2.520	2	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]N[6a]H)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(I){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]I)(C[6a]N[6a]H)(H){2|C<3>}	I(C[6a]C[6a,6a]C[6a])	117.8810	0.000	1	116.7585	2.520	2	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(I){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a,6a]C[6a])	119.4610	0.000	1	119.4610	0.000	1	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]Cl)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(I){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a,6a]C[6a])	119.5910	0.000	1	119.5910	0.000	1	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(I){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a,6a]C[6a])	120.8720	0.000	1	120.8720	0.000	1	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(I){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a,6a]C[6a])	119.1650	0.000	1	119.1650	0.000	1	116.0372	8.264	26	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(O)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I){1|H<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(O){1|N<3>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	116.0590	0.000	1	116.0590	0.000	1	116.0590	0.000	1	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(I)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]I)(H){1|C<3>,1|O<2>,2|C<4>}	I(C[6a]C[6a]2)	114.8350	0.000	1	114.8350	0.000	1	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(I){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	118.2550	0.000	1	118.2550	0.000	1	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,3|C<3>}	I(C[6a]C[6a]2)	119.7490	0.144	2	119.7490	0.021	2	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	118.3705	0.780	2	118.7053	0.640	3	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	I(C[6a]C[6a]2)	119.3750	0.000	1	118.7053	0.640	3	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	I(C[6a]C[6a]2)	117.8480	0.000	1	119.7995	2.091	6	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	120.4050	1.286	4	119.7995	2.091	6	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	I(C[6a]C[6a]2)	119.3290	0.000	1	119.7995	2.091	6	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,4|C<3>}	I(C[6a]C[6a]2)	120.5280	0.000	1	120.5280	0.000	1	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|C<3>,2|C<4>,3|H<1>}	I(C[6a]C[6a]2)	118.8313	0.714	3	119.3452	1.029	24	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	I(C[6a]C[6a]2)	120.2560	0.000	1	119.3452	1.029	24	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|C<4>,2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	117.2045	1.631	2	119.3452	1.029	24	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	I(C[6a]C[6a]2)	119.6515	0.790	4	119.3452	1.029	24	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,2|C<4>,3|C<3>}	I(C[6a]C[6a]2)	119.2590	0.000	1	119.3452	1.029	24	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|N<3>,2|C<3>,3|H<1>}	I(C[6a]C[6a]2)	118.7470	0.619	2	119.3452	1.029	24	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){3|C<3>,3|H<1>}	I(C[6a]C[6a]2)	119.6140	0.465	2	119.3452	1.029	24	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	I(C[6a]C[6a]2)	119.7152	0.586	6	119.3452	1.029	24	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	I(C[6a]C[6a]2)	119.6000	0.000	1	119.3452	1.029	24	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|O<1>,3|C<3>}	I(C[6a]C[6a]2)	119.6330	0.000	1	119.3452	1.029	24	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,2|C<3>,2|N<2>}	I(C[6a]C[6a]2)	121.0150	0.000	1	119.3452	1.029	24	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	I(C[6a]C[6a]2)	120.4745	0.132	2	119.8680	1.112	3	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]I)(H){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	118.6550	0.000	1	119.8680	1.112	3	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(I)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(I){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H){1|C<4>,1|I<1>,3|C<3>}	I(C[6a]C[6a]2)	117.6640	0.000	1	117.6640	0.000	1	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(I)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|I<1>,2|C<4>,3|C<3>}	I(C[6a]C[6a]2)	116.5800	0.000	1	116.5800	0.000	1	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(I)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(I){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H){1|C<4>,1|O<2>,3|C<3>}	I(C[6a]C[6a]2)	118.4354	2.097	8	118.4354	4.399	8	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(I)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(I){1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H){1|C<4>,1|O<2>,3|C<3>}	I(C[6a]C[6a]2)	118.1875	0.692	2	118.1875	0.479	2	119.0570	2.131	53	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(I)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(I){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H){1|C<4>,1|N<3>,3|C<3>}	I(C[6a]C[6a]2)	116.0680	0.000	1	116.0680	0.000	1	118.8943	0.602	57	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	I(C[6a]C[6a]2)	118.8952	0.713	5	118.8952	0.509	5	118.8943	0.602	57	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	I(C[6a]C[6a]2)	119.5140	0.000	1	118.9274	0.455	50	118.8943	0.602	57	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	I(C[6a]C[6a]2)	118.9761	0.585	14	118.9274	0.455	50	118.8943	0.602	57	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|C<4>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	I(C[6a]C[6a]2)	119.0430	0.876	4	118.9274	0.455	50	118.8943	0.602	57	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	I(C[6a]C[6a]2)	119.2383	0.556	3	118.9274	0.455	50	118.8943	0.602	57	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	119.0450	0.962	2	118.9274	0.455	50	118.8943	0.602	57	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	I(C[6a]C[6a]2)	119.1375	0.206	2	118.9274	0.455	50	118.8943	0.602	57	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	I(C[6a]C[6a]2)	118.8574	0.739	18	118.9274	0.455	50	118.8943	0.602	57	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	I(C[6a]C[6a]2)	118.5120	0.847	4	118.9274	0.455	50	118.8943	0.602	57	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,2|C<3>,2|O<2>}	I(C[6a]C[6a]2)	118.7280	0.894	2	118.9274	0.455	50	118.8943	0.602	57	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	120.0600	0.000	1	120.0600	0.000	1	118.8943	0.602	57	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(I)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(I){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]I)(H){1|C<4>,1|N<3>,3|C<3>}	I(C[6a]C[6a]2)	116.6620	0.000	1	116.6620	0.000	1	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,3|C<3>}	I(C[6a]C[6a]2)	119.3700	0.000	1	119.6077	0.068	3	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,3|C<3>}	I(C[6a]C[6a]2)	119.5660	0.000	1	119.6077	0.068	3	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|I<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,3|C<3>}	I(C[6a]C[6a]2)	119.8870	0.000	1	119.6077	0.068	3	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[4,6])(C[6a]C[6a]I)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	I(C[6a]C[6a]2)	119.2580	0.000	1	119.2580	0.000	1	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	I(C[6a]C[6a]2)	118.9080	0.000	1	119.9030	1.980	2	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	120.8980	0.000	1	119.9030	1.980	2	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	I(C[6a]C[6a]2)	118.8130	0.000	1	119.4465	0.548	24	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,4|C<4>}	I(C[6a]C[6a]2)	119.5460	0.000	1	119.4465	0.548	24	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	I(C[6a]C[6a]2)	120.4580	0.000	1	119.4465	0.548	24	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,2|C<4>,3|H<1>}	I(C[6a]C[6a]2)	119.8680	0.000	1	119.4465	0.548	24	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,2|N<3>,3|H<1>}	I(C[6a]C[6a]2)	119.4160	0.903	11	119.4465	0.548	24	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.5210	0.000	1	119.4465	0.548	24	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<4>,2|C<3>,3|H<1>}	I(C[6a]C[6a]2)	119.3270	0.000	1	119.4465	0.548	24	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<4>,2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	119.1490	0.000	1	119.4465	0.548	24	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	I(C[6a]C[6a]2)	118.5080	0.000	1	119.4465	0.548	24	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	I(C[6a]C[6a]2)	119.8147	0.401	3	119.4465	0.548	24	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	I(C[6a]C[6a]2)	119.5550	0.000	1	119.4465	0.548	24	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	119.9520	0.000	1	119.4465	0.548	24	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<1>}	I(C[6a]C[6a]2)	119.0270	1.768	2	119.0270	3.125	2	119.3733	0.822	33	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(I)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(I){5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]I)(H){1|H<1>,4|C<3>}	I(C[6a]C[6a]2)	117.0720	0.000	1	117.0720	0.000	1	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(I)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(I){5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]I)(H){1|H<1>,4|C<3>}	I(C[6a]C[6a]2)	116.9511	0.699	11	116.9511	0.488	11	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(I){5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6a]I)(H){5|C<3>}	I(C[6a]C[6a]2)	115.7865	2.065	4	115.7865	4.265	4	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(I){1|I<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H){1|H<1>,4|C<3>}	I(C[6a]C[6a]2)	118.6400	0.000	1	118.6400	0.000	1	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(I){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H){1|H<1>,4|C<3>}	I(C[6a]C[6a]2)	118.3380	0.000	1	118.3380	0.000	1	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]I)(H){1|H<1>,4|C<3>}	I(C[6a]C[6a]2)	119.8710	0.000	1	119.8710	0.000	1	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|C<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H){1|N<2>,2|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.4390	0.000	1	119.4849	0.933	15	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	I(C[6a]C[6a]2)	121.3710	0.000	1	119.4849	0.933	15	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	I(C[6a]C[6a]2)	120.5930	0.000	1	119.4849	0.933	15	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	I(C[6a]C[6a]2)	119.1060	0.807	3	119.4849	0.933	15	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	119.8730	0.000	1	119.4849	0.933	15	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H){1|H<1>,4|C<3>}	I(C[6a]C[6a]2)	119.6285	1.078	4	119.4849	0.933	15	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	118.0870	0.000	1	119.4849	0.933	15	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|I<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	119.2350	0.000	1	119.4849	0.933	15	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	118.9215	0.422	2	119.4849	0.933	15	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(H){1|H<1>,3|C<3>}	I(C[6a]C[6a]2)	119.9720	0.000	1	119.9720	0.000	1	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]I)(H){1|H<1>,3|C<3>}	I(C[6a]C[6a]2)	118.6010	0.000	1	118.6010	0.000	1	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H){1|H<1>,1|I<1>,3|C<3>}	I(C[6a]C[6a]2)	117.9080	0.800	2	117.4017	0.572	4	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H){1|H<1>,1|I<1>,3|C<3>}	I(C[6a]C[6a]2)	116.8955	0.227	2	117.4017	0.572	4	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(H){1|I<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	116.1112	0.517	4	116.1112	0.268	4	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(I){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	120.1195	0.110	2	120.2340	0.368	4	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(I){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,3|C<3>}	I(C[6a]C[6a]2)	120.3485	1.019	2	120.2340	0.368	4	118.1117	3.050	48	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	123.3015	1.477	2	122.9952	0.857	4	122.3339	0.759	10	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	122.7750	0.000	1	122.9952	0.857	4	122.3339	0.759	10	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Br){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	122.6030	0.000	1	122.9952	0.857	4	122.3339	0.759	10	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)2(Br)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]I)2(Br){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.6947	0.463	4	121.6947	0.214	4	122.3339	0.759	10	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)2(Br)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]N[6a]H)(I){1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]I)2(Br){1|N<2>,2|H<1>}	I(C[6a]C[6a]2)	122.2895	0.482	2	122.2895	0.232	2	122.3339	0.759	10	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(I)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(Cl)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Cl)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(Cl){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	122.4000	0.000	1	122.4000	0.000	1	121.4745	0.762	39	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl){1|C<2>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	121.6265	0.090	2	121.6265	0.008	2	121.4745	0.762	39	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	123.2845	0.337	2	123.1896	0.041	5	121.4745	0.762	39	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	123.1263	0.101	3	123.1896	0.041	5	121.4745	0.762	39	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(Cl)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	122.1280	0.000	1	122.1280	0.000	1	121.4745	0.762	39	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	I(C[6a]C[6a]2)	122.1920	0.000	1	122.1920	0.000	1	121.4745	0.762	39	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(Cl)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(I){1|C<2>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(Cl){2|Cl<1>,1|C<3>}	I(C[6a]C[6a]2)	120.7100	0.113	2	120.7100	0.013	2	121.4745	0.762	39	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(I)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(I){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(Cl){1|Cl<1>,1|C<3>,1|I<1>}	I(C[6a]C[6a]2)	120.9575	0.354	17	120.9575	0.125	17	121.4745	0.762	39	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|Br<1>,1|Cl<1>,1|C<3>}	I(C[6a]C[6a]2)	121.6320	0.759	4	121.5017	0.386	6	121.4745	0.762	39	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){2|Cl<1>,1|C<3>}	I(C[6a]C[6a]2)	121.2410	0.031	2	121.5017	0.386	6	121.4745	0.762	39	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(I)	C[6a](C[6a]C[6a]I)2(Cl)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(I){1|C<2>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]I)2(Cl){2|Cl<1>,1|C<3>}	I(C[6a]C[6a]2)	120.4945	0.313	2	120.4945	0.098	2	121.4745	0.762	39	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	I(C[6a]C[6a]2)	122.1530	0.000	1	121.9445	0.087	2	121.4745	0.762	39	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(Cl){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	121.7360	0.000	1	121.9445	0.087	2	121.4745	0.762	39	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(I){1|F<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|F<1>,2|C<3>}	I(C[6a]C[6a]2)	118.7109	0.758	15	118.9342	0.761	18	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(I){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|F<1>,2|C<3>}	I(C[6a]C[6a]2)	120.0507	0.450	3	118.9342	0.761	18	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<2>,1|C<3>,1|F<1>}	I(C[6a]C[6a]2)	120.0615	1.350	6	120.0615	1.822	6	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|H<1>}	I(C[6a]C[6a]2)	119.2450	0.000	1	120.5502	0.939	6	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|C<3>,1|F<1>,1|I<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|H<1>}	I(C[6a]C[6a]2)	121.0735	0.706	2	120.5502	0.939	6	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|H<1>}	I(C[6a]C[6a]2)	121.6750	0.000	1	120.5502	0.939	6	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|H<1>}	I(C[6a]C[6a]2)	120.1170	0.552	2	120.5502	0.939	6	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|H<1>}	I(C[6a]C[6a]2)	120.8180	0.000	1	120.8845	0.198	4	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(F){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.5230	0.000	1	120.8845	0.198	4	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|H<1>}	I(C[6a]C[6a]2)	120.5060	0.000	1	120.8845	0.198	4	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(F){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.6910	0.000	1	120.8845	0.198	4	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|I<1>}	I(C[6a]C[6a]2)	117.8537	1.176	124	117.8537	1.384	124	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|P<3>}	I(C[6a]C[6a]2)	115.7110	0.000	1	115.7110	0.000	1	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(F){2|F<1>,3|C<3>}	I(C[6a]C[6a]2)	120.5650	0.700	2	120.5650	0.490	2	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<2>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(F){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	121.3945	0.237	4	121.8470	0.270	8	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(F){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	122.2995	0.167	4	121.8470	0.270	8	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|H<1>}	I(C[6a]C[6a]2)	122.0150	0.000	1	121.4631	0.873	1187	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,1|F<1>,1|I<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	121.2979	0.984	75	121.4631	0.873	1187	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<2>,1|C<3>,1|F<1>}	I(C[6a]C[6a]2)	121.4792	0.820	10	121.4631	0.873	1187	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<3>,1|C<4>,1|F<1>}	I(C[6a]C[6a]2)	119.9865	1.297	6	121.4631	0.873	1187	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|H<1>}	I(C[6a]C[6a]2)	121.5796	1.610	8	121.4631	0.873	1187	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|I<1>}	I(C[6a]C[6a]2)	121.4663	0.826	771	121.4631	0.873	1187	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|N<2>}	I(C[6a]C[6a]2)	121.5466	0.903	62	121.4631	0.873	1187	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|N<3>}	I(C[6a]C[6a]2)	121.9658	1.811	14	121.4631	0.873	1187	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|O<2>}	I(C[6a]C[6a]2)	121.4602	1.260	79	121.4631	0.873	1187	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	121.4194	0.863	77	121.4631	0.873	1187	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|F<1>,2|C<3>}	I(C[6a]C[6a]2)	121.5667	1.237	73	121.4631	0.873	1187	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(F){1|Ni<4>,1|C<3>,1|F<1>}	I(C[6a]C[6a]2)	121.5539	0.454	11	121.4631	0.873	1187	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|H<1>}	I(C[6a]C[6a]2)	121.2950	0.000	1	122.1801	0.913	9	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|H<1>}	I(C[6a]C[6a]2)	122.2908	0.958	8	122.1801	0.913	9	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]I)2(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<2>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]I)2(F){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	120.9655	0.343	4	121.5543	0.986	923	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]I)2(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,1|F<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(F){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	121.7661	1.188	75	121.5543	0.986	923	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]I)2(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(F){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	121.5443	0.971	838	121.5543	0.986	923	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]I)2(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)2(F){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	120.6910	1.035	6	121.5543	0.986	923	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)2(I)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]I)(F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(I){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]I)(F){1|C<3>,1|F<1>,1|N<2>,2|C<4>}	I(C[6a]C[6a]2)	120.9610	0.537	4	120.9610	0.288	4	121.2776	1.690	2292	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]B[6,6]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]B[6,6]C[6a])(C[6a]C[6a]H)(I){1|C<3>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|B<4>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	115.2455	0.182	2	115.2455	0.033	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.3210	0.000	1	119.3210	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	119.2253	0.699	3	119.0717	1.477	39	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.5288	1.189	17	119.0717	1.477	39	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	118.6418	1.140	5	119.0717	1.477	39	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	116.1735	0.244	2	119.0717	1.477	39	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	118.6780	0.000	1	119.0717	1.477	39	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	118.3117	0.641	3	119.0717	1.477	39	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.3691	0.647	7	119.0717	1.477	39	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	119.3800	0.000	1	119.0717	1.477	39	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(I){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H){3|C<3>}	I(C[6a]C[6a]2)	115.8520	0.000	1	116.5225	0.654	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(I){1|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H){1|N<3>,2|C<3>}	I(C[6a]C[6a]2)	116.7460	0.826	3	116.5225	0.654	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	118.2852	0.891	19	118.2852	0.794	19	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	119.0260	0.000	1	118.6079	0.628	37	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	118.0705	0.904	2	118.6079	0.628	37	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.0206	0.642	8	118.6079	0.628	37	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	118.6003	0.771	24	118.6079	0.628	37	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	117.3775	0.317	2	118.6079	0.628	37	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(I){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	115.9670	0.000	1	116.0628	1.492	5	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(I){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	116.2463	1.681	3	116.0628	1.492	5	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(I){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	115.6080	0.000	1	116.0628	1.492	5	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	120.3850	0.000	1	119.6292	0.556	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.3773	0.673	3	119.6292	0.556	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	119.4275	0.189	2	119.7698	0.914	27	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.8467	0.893	15	119.7698	0.914	27	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.4110	0.000	1	119.7698	0.914	27	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	119.7020	0.205	3	119.7698	0.914	27	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	119.3750	0.000	1	119.7698	0.914	27	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	122.5040	0.000	1	119.7698	0.914	27	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	120.3980	0.000	1	119.7698	0.914	27	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.2610	0.000	1	119.7698	0.914	27	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.2750	0.000	1	119.7698	0.914	27	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	117.8990	0.000	1	119.7698	0.914	27	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	119.6620	0.000	1	119.6620	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6,6a]Cl)(C[6a]C[6a]I)(H){1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	119.3771	0.898	7	119.3771	0.806	7	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I){1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]I)(H){1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	119.6328	0.989	5	119.6328	0.978	5	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I){1|C<3>,1|N<3>,1|S<4>}	C[6a](C[6a]C[6,6a]S)(C[6a]C[6a]I)(H){1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	118.7373	1.204	3	118.7373	1.450	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6,6a]Se)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]Se)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(H){1|Se<2>,2|C<3>}	I(C[6a]C[6a]2)	115.6560	0.000	1	115.6560	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H){3|C<3>}	I(C[6a]C[6a]2)	117.6990	0.000	1	117.6990	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	118.7640	0.000	1	118.7640	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	118.9760	0.000	1	119.4855	1.165	13	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	119.7880	0.000	1	119.4855	1.165	13	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	118.2330	0.602	2	119.4855	1.165	13	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	120.9533	0.575	3	119.4855	1.165	13	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	118.4320	0.000	1	119.4855	1.165	13	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	119.3578	0.674	5	119.4855	1.165	13	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.6010	0.000	1	119.6010	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(I){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	118.9895	0.822	2	118.9895	0.676	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I){1|C<3>,1|I<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(H){1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	118.1160	0.000	1	118.1160	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I){1|C<3>,1|N<2>,1|S<4>}	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]I)(H){1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	119.6620	0.283	3	119.6562	0.054	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I){1|S<4>,2|C<3>}	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]I)(H){1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	119.6390	0.000	1	119.6562	0.054	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	116.9835	1.662	2	116.9835	2.764	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|I<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	117.8210	0.122	2	117.3886	0.306	12	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	117.1510	0.000	1	117.3886	0.306	12	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	116.3140	0.154	2	117.3886	0.306	12	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	117.6770	0.000	1	117.3886	0.306	12	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	117.5942	0.224	6	117.3886	0.306	12	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|I<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	116.7710	0.000	1	116.7710	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	117.5000	0.000	1	117.5000	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(H){2|C<3>}	I(C[6a]C[6a]2)	118.3960	0.235	2	118.3960	0.055	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|B<3>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	116.0920	0.000	1	116.0920	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|Br<1>,1|C<3>,1|N<3>}	I(C[6a]C[6a]2)	118.0535	0.346	2	118.0535	0.120	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	I(C[6a]C[6a]2)	117.8660	0.000	1	117.8660	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I){1|Cl<1>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H){1|Br<1>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	117.7617	0.400	4	117.7617	0.160	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H){1|Br<1>,1|H<1>,3|C<3>}	I(C[6a]C[6a]2)	117.3980	0.000	1	117.3980	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	116.6940	0.634	2	116.9401	0.895	12	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|I<1>}	I(C[6a]C[6a]2)	117.5170	0.000	1	116.9401	0.895	12	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|O<2>}	I(C[6a]C[6a]2)	118.4100	0.000	1	116.9401	0.895	12	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	115.9682	0.352	4	116.9401	0.895	12	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|I<1>,2|C<3>}	I(C[6a]C[6a]2)	117.5233	0.663	4	116.9401	0.895	12	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H){1|N<3>,2|C<3>}	I(C[6a]C[6a]2)	118.2850	0.000	1	118.2850	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<2>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	120.1400	0.000	1	116.9109	3.037	97	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	115.1520	0.000	1	116.9109	3.037	97	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	117.3423	0.333	3	116.9109	3.037	97	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<2>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	119.7725	0.360	2	116.9109	3.037	97	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|Br<1>,1|C<3>,1|C<4>}	I(C[6a]C[6a]2)	116.3450	0.000	1	116.9109	3.037	97	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<2>,1|C<3>,1|S<4>}	I(C[6a]C[6a]2)	119.0980	1.173	8	116.9109	3.037	97	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	116.3895	1.751	24	116.9109	3.037	97	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|I<1>}	I(C[6a]C[6a]2)	115.7355	0.093	2	116.9109	3.037	97	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|C<4>}	I(C[6a]C[6a]2)	112.7655	0.752	2	116.9109	3.037	97	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	116.9147	1.409	48	116.9109	3.037	97	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|N<3>,2|C<3>}	I(C[6a]C[6a]2)	116.9295	1.244	2	116.9109	3.037	97	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	116.0837	0.631	3	116.9109	3.037	97	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	115.5875	2.297	2	115.7095	1.804	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	115.8315	0.271	2	115.7095	1.804	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|S<6>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(H){1|C<2>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	118.9180	0.000	1	118.9180	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,2|C<4>}	I(C[6a]C[6a]2)	117.7160	0.310	2	117.8440	4.814	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<2>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	120.6440	0.000	1	117.8440	4.814	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	115.3000	0.000	1	117.8440	4.814	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(I){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	116.3090	0.000	1	116.8945	0.686	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	117.4800	0.000	1	116.8945	0.686	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	116.8940	0.027	2	116.6567	0.169	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	116.1820	0.000	1	116.6567	0.169	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>}	I(C[6a]C[6a]2)	113.3300	0.000	1	113.3300	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){2|Cl<1>,1|C<3>}	I(C[6a]C[6a]2)	118.5150	0.000	1	118.1580	0.104	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|Cl<1>,1|C<2>,1|C<3>}	I(C[6a]C[6a]2)	117.9795	0.129	2	118.1580	0.104	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	116.6490	0.000	1	116.6490	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	117.3690	0.216	3	117.3690	0.047	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	115.7700	0.000	1	115.7700	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	121.5495	0.456	2	121.5495	0.208	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	I(C[6a]C[6a]2)	121.4080	0.000	1	121.4080	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(H){1|C<3>,1|F<1>,1|H<1>}	I(C[6a]C[6a]2)	120.5240	0.000	1	119.8350	0.949	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(H){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	119.1460	0.000	1	119.8350	0.949	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	121.1120	0.000	1	121.1340	0.018	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|F<1>,1|H<1>}	I(C[6a]C[6a]2)	121.2760	0.000	1	121.1340	0.018	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	121.0140	0.000	1	121.1340	0.018	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(I){1|C<3>,1|F<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	120.3340	0.437	2	120.3340	0.191	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<2>,1|C<3>,1|I<1>}	I(C[6a]C[6a]2)	117.5480	0.045	2	116.8127	0.608	8	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|I<1>}	I(C[6a]C[6a]2)	117.3495	0.200	2	116.8127	0.608	8	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	116.1767	0.559	4	116.8127	0.608	8	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	115.7850	0.000	1	115.7850	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<2>,1|C<3>,1|I<1>}	I(C[6a]C[6a]2)	117.8755	1.570	2	116.8551	1.564	8	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	116.0892	0.566	4	116.8551	1.564	8	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	116.2340	0.000	1	116.8551	1.564	8	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|I<1>}	I(C[6a]C[6a]2)	118.4990	0.000	1	116.8551	1.564	8	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,1|I<1>,1|O<2>}	I(C[6a]C[6a]2)	116.5205	0.902	2	116.2738	0.611	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	116.0270	0.881	2	116.2738	0.611	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	115.4990	0.000	1	116.4004	0.653	11	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,2|I<1>}	I(C[6a]C[6a]2)	117.2502	0.412	4	116.4004	0.653	11	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	115.9840	0.507	6	116.4004	0.653	11	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	I(C[6a]C[6a]2)	119.3730	0.000	1	119.3730	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	117.5240	0.000	1	117.5895	0.009	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(H){1|C<3>,2|N<3>}	I(C[6a]C[6a]2)	117.6550	0.000	1	117.5895	0.009	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	118.3513	1.035	3	118.0041	0.933	21	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	118.0590	1.278	8	118.0041	0.933	21	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	118.1955	0.859	2	118.0041	0.933	21	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	117.5660	0.890	4	118.0041	0.933	21	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<1>}	I(C[6a]C[6a]2)	117.7620	0.000	1	118.0041	0.933	21	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	118.0480	0.585	3	118.0041	0.933	21	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	118.0990	1.362	2	118.0990	1.855	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|N<3>}	I(C[6a]C[6a]2)	119.8650	0.000	1	118.4598	1.217	71	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|N<3>,1|O<2>}	I(C[6a]C[6a]2)	119.2270	0.000	1	118.4598	1.217	71	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|N<3>}	I(C[6a]C[6a]2)	118.9290	0.000	1	118.4598	1.217	71	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|Br<1>,1|C<3>,1|N<3>}	I(C[6a]C[6a]2)	118.7663	2.044	3	118.4598	1.217	71	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	118.8793	0.816	14	118.4598	1.217	71	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	118.5289	0.853	42	118.4598	1.217	71	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<4>}	I(C[6a]C[6a]2)	118.5430	0.157	2	118.4598	1.217	71	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|N<3>,1|O<2>}	I(C[6a]C[6a]2)	114.6560	0.000	1	118.4598	1.217	71	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|N<3>}	I(C[6a]C[6a]2)	117.0105	1.052	6	118.4598	1.217	71	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	118.3250	0.000	1	118.3423	0.046	10	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	118.3110	0.220	8	118.3423	0.046	10	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	118.6100	0.000	1	118.3423	0.046	10	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	117.7100	0.000	1	119.1785	4.313	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	120.6470	0.000	1	119.1785	4.313	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[4,5]C[6a])(C[6a]C[6a]I)(H){1|C<3>,1|N<3>,2|C<4>,2|O<2>}	I(C[6a]C[6a]2)	120.6550	0.000	1	120.6550	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<4>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	I(C[6a]C[6a]2)	119.2050	0.000	1	119.2050	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<2>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	120.3598	0.442	4	120.1088	0.803	12	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.2230	2.039	2	120.1088	0.803	12	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.5385	0.624	2	120.1088	0.803	12	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	120.5590	0.427	2	120.1088	0.803	12	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	120.6130	0.369	2	120.1088	0.803	12	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|O<2>}	I(C[6a]C[6a]2)	118.5275	0.506	2	118.5275	0.256	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|Al<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<3>}	I(C[6a]C[6a]2)	118.9020	0.000	1	119.0461	1.449	23	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.8115	1.435	2	119.0461	1.449	23	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|I<1>,1|O<2>}	I(C[6a]C[6a]2)	118.7040	0.928	2	119.0461	1.449	23	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	120.2073	1.259	6	119.0461	1.449	23	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	119.5720	0.246	2	119.0461	1.449	23	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	118.1739	0.606	10	119.0461	1.449	23	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.4790	0.615	4	119.3080	0.430	5	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	118.6240	0.000	1	119.3080	0.430	5	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,1|I<1>,1|O<2>}	I(C[6a]C[6a]2)	119.2887	1.300	6	119.1409	1.561	7	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>}	I(C[6a]C[6a]2)	118.2540	0.000	1	119.1409	1.561	7	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.1439	0.857	8	119.5108	0.697	68	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,2|O<2>}	I(C[6a]C[6a]2)	119.9917	0.689	12	119.5108	0.697	68	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	118.7370	0.000	1	119.5108	0.697	68	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.4669	0.831	47	119.5108	0.697	68	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	I(C[6a]C[6a]2)	118.3110	0.000	1	118.6930	0.188	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	118.6040	0.000	1	118.6930	0.188	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,3|C<3>}	I(C[6a]C[6a]2)	119.1640	0.000	1	118.6930	0.188	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|P<4>}	I(C[6a]C[6a]2)	114.5080	1.657	2	114.5080	2.747	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|S<4>}	I(C[6a]C[6a]2)	116.1613	0.600	6	116.1613	0.360	6	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(I){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|N<3>}	I(C[6a]C[6a]2)	122.1080	0.662	2	122.1080	0.438	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]I)(H){1|C<3>,2|H<1>,3|C<4>}	I(C[6a]C[6a]2)	118.9585	0.596	2	118.9585	0.355	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	I(C[6a]C[6a]2)	119.3130	0.000	1	119.0555	1.387	10	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	I(C[6a]C[6a]2)	119.5870	0.000	1	119.0555	1.387	10	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	I(C[6a]C[6a]2)	119.9020	0.594	2	119.0555	1.387	10	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H){1|C<3>,2|H<1>,2|N<2>}	I(C[6a]C[6a]2)	119.6370	0.000	1	119.0555	1.387	10	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	117.9055	1.032	2	119.0555	1.387	10	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]I)(H){1|N<2>,2|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.8010	1.747	3	119.0555	1.387	10	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|Br<1>,1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.4620	0.000	1	119.4620	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<2>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	120.0270	0.000	1	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	120.5080	0.000	1	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.3480	0.000	1	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	119.5325	1.770	2	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	118.6627	0.804	3	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<4>}	I(C[6a]C[6a]2)	119.8520	0.000	1	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	118.7125	0.325	2	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.4390	1.268	5	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	119.5680	0.000	1	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.6268	0.615	8	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	119.7841	0.811	12	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.6010	3.014	2	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.3068	0.835	23	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.1972	1.227	4	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|Pt<4>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	118.9670	1.010	2	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	119.5900	0.000	1	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.5470	1.056	6	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.9105	0.969	57	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.0870	0.735	31	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	119.3592	0.507	6	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	120.3152	0.677	47	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.9035	0.482	2	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.7561	0.655	10	119.7070	0.867	228	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>,2|O<2>}	I(C[6a]C[6a]2)	119.1190	0.596	3	119.1850	2.612	5	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){3|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]I)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	I(C[6a]C[6a]2)	119.2840	3.116	2	119.1850	2.612	5	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	I(C[6a]C[6a]2)	119.8970	0.000	1	120.5757	1.673	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]I)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.7630	0.000	1	120.5757	1.673	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]I)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	I(C[6a]C[6a]2)	122.0670	0.000	1	120.5757	1.673	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|Br<1>,1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	118.5240	0.000	1	118.9105	0.299	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.2970	0.000	1	118.9105	0.299	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.9773	0.910	3	119.5987	1.188	9	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	119.0780	1.508	2	119.5987	1.188	9	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.5750	1.239	4	119.5987	1.188	9	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<2>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	119.0580	0.000	1	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.2660	0.000	1	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.6490	0.000	1	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	120.1975	1.076	2	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	120.0903	0.147	3	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<4>}	I(C[6a]C[6a]2)	118.9470	0.000	1	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	120.0995	0.392	2	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.3249	1.267	7	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	117.7820	0.000	1	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.5463	0.439	3	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	120.9500	0.000	1	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	120.6910	0.000	1	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.2240	0.000	1	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.9887	0.594	10	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	120.1723	0.843	3	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|S<2>}	I(C[6a]C[6a]2)	119.1750	0.000	1	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.5184	0.860	30	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.3440	0.000	1	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.3948	0.982	4	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|B<3>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	119.8264	1.275	24	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|B<4>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	119.5804	1.297	72	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<2>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	119.6791	1.200	26	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	119.6979	0.977	173	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<5>,1|H<1>}	I(C[6a]C[6a]2)	119.7083	0.762	16	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|C<6>,1|H<1>}	I(C[6a]C[6a]2)	119.8260	0.455	4	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|F<1>,1|H<1>}	I(C[6a]C[6a]2)	119.6970	0.485	2	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	119.8446	0.979	24	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	119.5960	0.961	56	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.7604	0.843	210	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<4>}	I(C[6a]C[6a]2)	119.6010	0.636	30	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.6508	0.732	116	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|P<4>}	I(C[6a]C[6a]2)	120.0360	0.342	2	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|S<4>}	I(C[6a]C[6a]2)	119.3381	1.092	24	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.7120	1.439	6	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	119.5927	1.068	390	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|Pd<4>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	119.7490	0.000	1	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|Si<4>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	119.0919	1.436	24	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	120.1060	0.000	1	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	120.2830	0.000	1	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	120.0737	1.226	7	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	120.0510	0.884	65	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.6637	0.792	35	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|Ir<6>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	116.8610	0.000	1	119.6591	0.991	1384	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.7118	0.652	10	119.0075	1.034	58	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	118.7500	0.814	3	119.0075	1.034	58	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<2>}	I(C[6a]C[6a]2)	121.0520	0.000	1	119.0075	1.034	58	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.7371	0.668	27	119.0075	1.034	58	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.1000	0.000	1	119.0075	1.034	58	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.6257	1.367	16	119.0075	1.034	58	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.8660	0.928	4	118.7386	1.427	10	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.6537	1.425	6	118.7386	1.427	10	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)(C[6a]N[6a]C)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]I)(C[6a]N[6a]C)(H){1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	120.6343	0.480	4	120.6343	0.231	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	120.8025	0.036	2	120.5603	0.177	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(H){1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	120.0760	0.000	1	120.5603	0.177	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.3460	0.556	8	119.2611	0.525	78	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	118.5320	0.000	1	119.2611	0.525	78	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	118.5810	0.000	1	119.2611	0.525	78	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.3950	0.000	1	119.2611	0.525	78	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<2>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	119.1930	0.000	1	119.2611	0.525	78	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	119.1210	0.000	1	119.2611	0.525	78	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.9034	0.327	10	119.2611	0.525	78	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	120.2665	0.376	6	119.2611	0.525	78	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.2619	0.762	47	119.2611	0.525	78	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]I)2(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)2(H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.4160	0.141	2	119.2611	0.525	78	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]I)(H){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	118.2170	0.571	2	118.2170	0.326	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]I)(H){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	118.9827	0.365	4	118.9827	0.133	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]I)(H){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	119.9730	0.000	1	119.9730	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	119.8345	1.473	2	119.8345	2.169	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	119.4790	0.245	2	119.4790	0.060	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)2(I)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(I){2|Cl<1>,1|N<2>}	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	120.2025	0.573	2	120.2025	0.329	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.9243	0.728	4	119.9243	0.530	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.0560	0.659	2	119.0560	0.434	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	118.8740	0.000	1	118.8740	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|Cl<1>,1|C<3>,1|N<3>}	I(C[6a]C[6a]2)	116.0420	0.000	1	118.1820	2.418	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	118.8953	0.758	3	118.1820	2.418	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	118.8190	0.000	1	118.8190	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	117.4220	0.044	2	117.7317	0.289	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	118.3510	0.000	1	117.7317	0.289	3	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(I){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	118.1450	0.000	1	118.1450	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.7592	0.519	4	119.7592	0.270	4	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(H){1|Si<4>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	116.1430	0.000	1	116.1430	0.000	1	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|N<3>}	I(C[6a]C[6a]2)	119.1360	0.000	1	119.3605	0.101	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|N<3>}	I(C[6a]C[6a]2)	119.5850	0.000	1	119.3605	0.101	2	119.2760	1.751	2454	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(I){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	122.5970	0.000	1	122.3160	0.158	2	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	122.0350	0.000	1	122.3160	0.158	2	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(I){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I){3|C<3>}	I(C[6a]C[6a]2)	120.3055	0.131	2	120.3055	0.017	2	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(I){1|H<1>,4|C<3>}	I(C[6a]C[6a]2)	122.6875	0.486	2	122.6875	0.236	2	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a]2)	122.2120	0.178	4	122.1682	0.150	6	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(I){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	122.0805	0.795	2	122.1682	0.150	6	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	121.1963	0.430	6	121.1963	0.185	6	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<2>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	122.2015	1.620	2	121.2613	1.585	9	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<2>,1|C<3>,1|F<1>}	I(C[6a]C[6a]2)	122.1870	0.000	1	121.2613	1.585	9	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|I<1>,2|C<3>}	I(C[6a]C[6a]2)	120.7937	1.106	6	121.2613	1.585	9	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]I)2(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(I){1|I<1>,2|C<3>}	I(C[6a]C[6a]2)	121.9428	0.724	10	121.9428	0.524	10	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(I){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	123.4064	0.839	123	123.4064	0.705	123	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<2>,1|C<3>,1|F<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	123.2270	0.000	1	123.1362	1.488	9	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<2>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	121.7985	2.371	2	123.1362	1.488	9	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	123.5670	0.563	6	123.1362	1.488	9	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<2>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	122.4445	0.098	2	123.0382	0.279	12	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	123.3795	0.182	2	123.0382	0.279	12	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	122.9275	0.313	4	123.0382	0.279	12	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	123.7770	0.000	1	123.0382	0.279	12	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	123.3935	0.831	2	123.0382	0.279	12	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	122.5360	0.000	1	123.0382	0.279	12	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	122.9950	0.000	1	122.7990	0.149	3	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	122.7010	0.489	2	122.7990	0.149	3	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]I)2(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]I)2(I){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	122.4215	0.801	4	122.7156	0.537	8	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]I)2(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(I){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	123.0097	0.616	4	122.7156	0.537	8	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	121.2490	0.000	1	121.3250	0.121	3	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|N<3>,1|O<2>}	I(C[6a]C[6a]2)	121.3630	0.482	2	121.3250	0.121	3	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)2(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(I){1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]I)2(I){1|N<2>,2|H<1>}	I(C[6a]C[6a]2)	123.2310	0.216	2	123.2310	0.047	2	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)2(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<3>,2|I<1>}	I(C[6a]C[6a]2)	119.5979	0.767	10	119.5979	0.588	10	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|C<4>,1|I<1>}	I(C[6a]C[6a]2)	121.6370	0.870	4	121.2618	0.685	8	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(I){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	120.8865	0.681	4	121.2618	0.685	8	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)2(I)	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)2(I){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]I)(C[6a]N[6a]H)(I){1|C<3>,1|I<1>}	I(C[6a]C[6a]2)	121.4130	0.731	2	121.4130	0.535	2	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)2(I)	C[6a](C[6a]C[6a]I)2(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)2(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(I){1|C<3>,2|I<1>}	I(C[6a]C[6a]2)	119.9887	0.942	6	120.3899	1.421	26	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)2(I)	C[6a](C[6a]C[6a]I)2(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)2(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(I){1|I<1>,2|C<3>}	I(C[6a]C[6a]2)	119.6109	0.828	10	120.3899	1.421	26	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:	C[6a](C[6a]C[6a]I)2(I)	C[6a](C[6a]C[6a]I)2(I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)2(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)2(I){1|C<3>,2|I<1>}	I(C[6a]C[6a]2)	121.4097	0.912	10	120.3899	1.421	26	122.4891	2.219	243	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-1:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)2(N)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)2(N){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.3420	0.000	1	120.3420	0.000	1	120.3420	0.000	1	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)2(O)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(I){1|C<4>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]I)2(O){1|N<3>,2|C<3>}	I(C[6a]C[6a]2)	115.1480	0.396	2	115.1480	0.157	2	118.1353	3.699	18	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)2(O)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(I){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]I)2(O){1|N<3>,2|H<1>}	I(C[6a]C[6a]2)	118.3685	1.298	2	118.3685	1.684	2	118.1353	3.699	18	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(O)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(I){1|C<3>,2|O<1>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(O){1|C<3>,1|I<1>,1|O<1>}	I(C[6a]C[6a]2)	119.1347	0.942	12	119.1347	0.887	12	118.1353	3.699	18	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(O)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(O){1|N<3>,2|C<3>}	I(C[6a]C[6a]2)	115.2940	0.000	1	115.2940	0.000	1	118.1353	3.699	18	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(O)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I){1|I<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(O){1|N<3>,2|C<3>}	I(C[6a]C[6a]2)	114.4920	0.000	1	114.4920	0.000	1	118.1353	3.699	18	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(I){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	I(C[6a]C[6a]2)	118.7825	0.934	2	118.7825	0.873	2	120.4810	4.158	4	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(H){1|N<3>,2|O<1>}	I(C[6a]C[6a]2)	122.1795	0.248	2	122.1795	0.062	2	120.4810	4.158	4	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(O)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(I){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	117.0180	0.000	1	117.0180	0.000	1	118.5192	3.445	5	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	I(C[6a]C[6a]2)	119.2785	3.211	2	118.8945	3.654	4	118.5192	3.445	5	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:N[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I)	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]I)(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>}	I(C[6a]C[6a]2)	118.5105	0.247	2	118.8945	3.654	4	118.5192	3.445	5	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	I(C[6a]C[6a]2)	119.1240	0.000	1	119.1240	0.000	1	119.2725	0.044	2	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	N[5a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(I)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	119.4210	0.000	1	119.4210	0.000	1	119.2725	0.044	2	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	N[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]I)(H)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	I(C[6a]C[6a]2)	121.0015	2.722	2	121.0015	7.407	2	121.0015	7.407	2	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:C[6a]-3:I-1:	N[6a]-3:C[6a]-3:O-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(I)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]I)(O)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(I){1|C<4>,4|C<3>}	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]I)(O){3|C<3>}	I(C[6a]C[6a]2)	114.7840	0.000	1	114.7840	0.000	1	114.7840	0.000	1	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]I)(H)	I(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(I){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]I)(H){1|C<4>,1|H<1>,3|C<3>}	I(C[6a]C[6a]N[6a])	117.0080	0.000	1	117.0080	0.000	1	117.0080	0.000	1	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:1:	3:	N[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]N[5a,6a]I)(C[6a]C[6a]H)(H)	I(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]I)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]N[5a,6a]C[6a])	123.7175	0.200	2	123.7175	0.040	2	123.7175	0.040	2	120.2558	3.231	5356	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]O)(OC)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]O)(I){1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]I)(C[6a]C[6a]O)(OC){1|Se<2>,1|C<3>,1|H<1>}	I(C[6a]C[5,6a]C[6a])	119.4900	0.000	1	119.4900	0.000	1	119.4900	0.000	1	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(OC)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(I){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	I(C[6a]C[5a,6a]C[6a])	118.1430	0.000	1	118.1430	0.000	1	118.4985	0.253	2	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]C)(OH)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(I){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	I(C[6a]C[5a,6a]C[6a])	118.8540	0.000	1	118.8540	0.000	1	118.4985	0.253	2	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(I)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]2)(O[6a]C[6a])	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(I){1|N<3>,5|C<3>}	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	I(C[6a]C[5a,6a]C[6a])	118.7660	0.000	1	118.7660	0.000	1	118.7660	0.000	1	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]O)(OC)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]O)(I){1|O<2>,4|C<3>}	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	I(C[6a]C[6,6a]C[6a])	114.6920	0.000	1	114.6920	0.000	1	116.8735	9.518	2	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(OS)	I(C[6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(I){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6,6a]I)(C[6a]C[6a]H)(OS){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6,6a]C[6a])	119.0550	0.000	1	119.0550	0.000	1	116.8735	9.518	2	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(N[6a]C[6a])	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(I){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	I(C[6a]C[6a,6a]C[6a])	121.9980	0.000	1	121.9980	0.000	1	121.9980	0.000	1	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(I){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH){1|H<1>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	116.6940	0.000	1	116.6940	0.000	1	118.6577	1.937	7	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	117.6155	0.269	2	117.6155	0.073	2	118.6577	1.937	7	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC[6a])	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	119.7510	0.000	1	119.7510	0.000	1	118.6577	1.937	7	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(I){4|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]C)(OH){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[6a,6a]C[6a])	118.8740	0.000	1	118.8740	0.000	1	118.6577	1.937	7	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(I){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>}	I(C[6a]C[6a,6a]C[6a])	120.5400	0.000	1	120.5400	0.000	1	118.6577	1.937	7	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(I){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(OC){1|C<3>,2|O<2>}	I(C[6a]C[6a,6a]C[6a])	119.5140	0.000	1	119.5140	0.000	1	118.6577	1.937	7	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O[6a])(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(O[6a]C[6a])	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O[6a])(I){5|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(O[6a]C[6a]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	I(C[6a]C[6a,6a]C[6a])	120.6000	0.000	1	120.6000	0.000	1	120.6000	0.000	1	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OAl)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OAl){1|H<1>,3|C<3>}	I(C[6a]C[6a]2)	118.6895	0.437	4	118.6895	0.191	4	118.9182	1.166	15	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I){1|C<3>,1|N<3>,1|S<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OH){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	121.4360	0.000	1	121.4360	0.000	1	118.9182	1.166	15	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OIr)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I){1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OIr){1|H<1>,3|C<3>}	I(C[6a]C[6a]2)	118.3020	0.000	1	118.3020	0.000	1	118.9182	1.166	15	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OMg)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I){1|C<3>,1|N<3>,1|S<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OMg){1|H<1>,3|C<3>}	I(C[6a]C[6a]2)	117.7860	0.000	1	117.7860	0.000	1	118.9182	1.166	15	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(ONi)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I){1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(ONi){1|H<1>,3|C<3>}	I(C[6a]C[6a]2)	117.3040	0.000	1	117.5345	0.106	2	118.9182	1.166	15	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(ONi)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I){1|C<3>,1|N<3>,1|S<4>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(ONi){1|H<1>,3|C<3>}	I(C[6a]C[6a]2)	117.7650	0.000	1	117.5345	0.106	2	118.9182	1.166	15	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OPt)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I){1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OPt){1|H<1>,3|C<3>}	I(C[6a]C[6a]2)	119.3137	0.851	3	119.4037	0.439	6	118.9182	1.166	15	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OPt)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(I){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]I)(OPt){1|H<1>,3|C<3>}	I(C[6a]C[6a]2)	119.4937	0.592	3	119.4037	0.439	6	118.9182	1.166	15	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:Se-2:	C[6a]-3:	C[6a](C[6a]C[6,6a]Se)(C[6a]C[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(SeC[6a])	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]Se)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	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>}	I(C[6a]C[6a]2)	122.7440	0.000	1	122.7440	0.000	1	122.7440	0.000	1	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I){1|S<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OH){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	119.5430	0.000	1	119.5430	0.000	1	119.8978	0.496	6	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I){1|C<3>,1|I<1>,1|N<2>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH){1|H<1>,3|C<3>}	I(C[6a]C[6a]2)	120.0350	0.000	1	120.1505	0.556	4	119.8978	0.496	6	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(I){1|C<3>,1|N<2>,1|S<4>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]I)(OH){1|H<1>,3|C<3>}	I(C[6a]C[6a]2)	120.1890	0.909	3	120.1505	0.556	4	119.8978	0.496	6	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(I){1|I<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC){1|C<4>,2|C<3>,2|O<2>}	I(C[6a]C[6a]2)	119.2420	0.000	1	119.2420	0.000	1	119.8978	0.496	6	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CC){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	120.2055	1.074	6	120.2055	1.154	6	120.1129	0.978	24	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.2990	0.000	1	120.2990	0.000	1	120.1129	0.978	24	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CN)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(CN){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.7930	0.478	2	120.7930	0.228	2	120.1129	0.978	24	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC){1|C<3>,1|H<1>,1|S<4>}	I(C[6a]C[6a]2)	120.2821	1.101	8	120.2821	1.213	8	120.1129	0.978	24	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|S<6>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.1440	0.000	1	121.1440	0.000	1	120.1129	0.978	24	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)2(CN)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(CN){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.1590	0.000	1	119.1590	0.000	1	120.1129	0.978	24	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	119.5770	0.769	2	119.5770	0.592	2	120.1129	0.978	24	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC){1|C<3>,1|F<1>,1|I<1>}	I(C[6a]C[6a]2)	118.2590	0.000	1	118.2590	0.000	1	120.1129	0.978	24	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC){1|Cl<1>,1|C<2>,1|C<3>}	I(C[6a]C[6a]2)	119.8090	0.082	2	119.8090	0.007	2	120.1129	0.978	24	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)2(NC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(NC){1|N<3>,2|C<3>}	I(C[6a]C[6a]2)	118.9180	0.000	1	118.9180	0.000	1	120.0137	0.891	21	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.6267	0.656	9	119.6267	0.430	9	120.0137	0.891	21	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5])	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5]){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.1460	0.000	1	120.1460	0.000	1	120.0137	0.891	21	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5])	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.2495	0.984	2	121.2495	0.967	2	120.0137	0.891	21	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6])	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6]){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.5340	0.000	1	120.5340	0.000	1	120.0137	0.891	21	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.4330	0.000	1	120.7705	0.228	2	120.0137	0.891	21	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.1080	0.000	1	120.7705	0.228	2	120.0137	0.891	21	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NN)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NN){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.7650	0.407	3	120.7650	0.165	3	120.0137	0.891	21	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)2(NC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(NC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.7070	0.000	1	119.7070	0.000	1	120.0137	0.891	21	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(I)	C[6a](C[6a]C[6a]I)2(NC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(NC){1|N<3>,2|C<3>}	I(C[6a]C[6a]2)	118.0070	0.000	1	118.0070	0.000	1	120.0137	0.891	21	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	119.5406	2.337	9	119.5406	5.461	9	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(I){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OC){1|H<1>,1|N<2>,3|C<3>}	I(C[6a]C[6a]2)	119.6255	0.146	2	119.6255	0.021	2	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OP)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(I){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(OP){1|H<1>,4|C<3>}	I(C[6a]C[6a]2)	119.1340	0.649	2	119.1340	0.421	2	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]I)(OC){1|C<3>,2|O<2>}	I(C[6a]C[6a]2)	119.5840	0.000	1	119.5840	0.000	1	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(I){1|I<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	117.9330	0.000	1	117.9330	0.000	1	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|B<3>,1|C<3>,1|O<2>}	I(C[6a]C[6a]2)	117.8450	0.000	1	117.8450	0.000	1	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC){1|B<3>,1|C<3>,1|O<2>}	I(C[6a]C[6a]2)	116.7580	0.000	1	116.7580	0.000	1	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){1|C<4>,1|O<2>,3|C<3>}	I(C[6a]C[6a]2)	116.6735	0.937	4	116.6735	0.877	4	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	118.1260	0.000	1	118.2125	0.015	2	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|C<4>}	I(C[6a]C[6a]2)	118.2990	0.000	1	118.2125	0.015	2	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)2(OH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(OH){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	117.8370	0.000	1	117.8370	0.000	1	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(I){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|O<2>}	I(C[6a]C[6a]2)	115.3640	0.000	1	115.3640	0.000	1	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|F<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){1|C<4>,1|H<1>,3|C<3>}	I(C[6a]C[6a]2)	121.0080	0.543	2	120.3985	0.294	12	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	120.2766	0.477	10	120.3985	0.294	12	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.9200	0.000	1	118.9200	0.000	1	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OCo)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OCo){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	117.1070	0.000	1	117.1070	0.000	1	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OCu)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OCu){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	117.7450	0.573	4	117.7450	0.329	4	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OFe)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OFe){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.5550	0.332	3	119.0782	0.654	5	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OFe)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OFe){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.3630	0.830	2	119.0782	0.654	5	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.9935	0.784	32	119.0444	0.681	33	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.6720	0.000	1	119.0444	0.681	33	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(ONi)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(ONi){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	116.7345	0.186	2	117.1093	0.542	10	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(ONi)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(ONi){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	117.2030	0.801	8	117.1093	0.542	10	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OZn)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OZn){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.5965	1.784	2	118.2357	1.982	3	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OZn)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OZn){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	117.5140	0.000	1	118.2357	1.982	3	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OB[3x6])	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OB[3x6]){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.9080	0.000	1	120.9080	0.000	1	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.0590	0.000	1	120.1034	1.238	18	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.1137	0.431	3	120.1034	1.238	18	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	120.3525	1.701	6	120.1034	1.238	18	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	120.0490	0.000	1	120.1034	1.238	18	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.7423	0.673	3	120.1034	1.238	18	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	119.8575	0.856	2	120.1034	1.238	18	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.1780	0.214	2	120.1034	1.238	18	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC[6])	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC[6]){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.3535	1.053	2	119.3535	1.109	2	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.6310	1.857	2	119.4236	0.891	14	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OH){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.3890	0.854	12	119.4236	0.891	14	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	120.1580	0.607	2	120.1580	0.368	2	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.7795	0.462	2	118.7795	0.213	2	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)2(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(OC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.3915	2.138	2	119.9325	1.937	4	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)2(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6a]C[6a]I)2(OC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.4735	0.631	2	119.9325	1.937	4	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)2(OH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<2>,1|C<3>,1|I<1>}	C[6a](C[6a]C[6a]I)2(OH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	118.4903	0.513	4	119.1359	0.989	9	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)2(OH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]I)2(OH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.1855	0.965	2	119.1359	0.989	9	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)2(OH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6a]C[6a]I)2(OH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.3435	0.391	2	119.1359	0.989	9	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)2(OH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(OH){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	121.2040	0.000	1	119.1359	0.989	9	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.6540	0.000	1	119.6540	0.000	1	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(I){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	117.5630	0.000	1	117.5630	0.000	1	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(I){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|H<1>,1|N<2>,1|N<3>}	I(C[6a]C[6a]2)	121.7727	0.432	3	121.7727	0.186	3	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(I){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	I(C[6a]C[6a]2)	120.9920	0.000	1	120.9920	0.000	1	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.8384	0.917	14	119.8384	0.840	14	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(OH){1|C<3>,2|O<2>}	I(C[6a]C[6a]2)	119.4520	0.000	1	119.4520	0.000	1	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|C<4>,1|O<2>}	I(C[6a]C[6a]2)	119.9225	1.527	4	119.8703	1.461	10	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.6874	1.170	5	119.8703	1.461	10	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OC){1|C<3>,2|O<2>}	I(C[6a]C[6a]2)	120.5760	0.000	1	119.8703	1.461	10	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OP)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OP){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	120.3350	0.173	2	120.3350	0.030	2	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:2:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:	C[6a](C[6a]C[6a]O)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OP[4])	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(OP[4]){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	119.6240	0.085	2	119.6240	0.007	2	119.2588	1.948	181	119.3800	1.900	263	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(I)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(NCH)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(I){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	I(C[6a]C[5a,6a]C[6a])	121.2405	0.644	2	121.2405	0.415	2	121.2405	0.415	2	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(I)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]C[6a])(I){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]I)(C[6a]C[6a]2){2|H<1>,6|C<3>}	I(C[6a]C[6a,6a]C[6a])	116.9900	0.000	1	116.9900	0.000	1	116.9900	0.000	1	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(I)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(I){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2){2|H<1>,6|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.0740	0.000	1	118.0740	0.000	1	118.7643	0.251	4	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(I)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(I){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.9980	0.342	2	118.9943	0.059	3	118.7643	0.251	4	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(I)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(I){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2){3|H<1>,6|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.9870	0.000	1	118.9943	0.059	3	118.7643	0.251	4	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,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])(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(I){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2){3|H<1>,6|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.2670	0.000	1	118.2670	0.000	1	119.3970	2.554	2	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C[6a])(I){1|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]I)(C[6a]C[6a]2){1|N<2>,3|H<1>,5|C<3>}	I(C[6a]C[6a,6a]C[6a])	120.5270	0.000	1	120.5270	0.000	1	119.3970	2.554	2	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	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)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(I){1|H<1>,1|I<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(C[6a]C[6a]I){3|H<1>,4|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.6690	0.000	1	118.6690	0.000	1	118.6775	0.210	4	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	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)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(C[6a]N[6a]I)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(I){1|H<1>,1|I<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(C[6a]N[6a]I){2|H<1>,4|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.6803	0.562	3	118.6803	0.316	3	118.6775	0.210	4	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	N[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(I)	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(I){1|H<1>,6|C<3>}	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	I(C[6a]C[6a,6a]C[6a])	118.2730	0.000	1	118.2730	0.000	1	118.2730	0.000	1	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:I-1:	N[6a,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,6a]C[6a])(I)	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a,6a]C[6a])(I){1|H<1>,6|C<3>}	C[6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a,6a]I)(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	I(C[6a]C[6a,6a]C[6a])	121.3235	0.169	2	121.3235	0.029	2	121.3235	0.029	2	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(I)	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](C[5]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<4>,2|H<1>,4|C<3>}	I(C[6a]C[6a]2)	120.0110	0.000	1	120.0110	0.000	1	120.1946	1.337	5	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])2(I)	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])2(I){1|C<3>,2|H<1>,2|N<2>,2|O<2>}	C[6a](C[5]N[5]O[5])(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,3|C<4>}	I(C[6a]C[6a]2)	120.2405	1.330	4	120.2405	1.769	4	120.1946	1.337	5	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(I)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(I){7|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I){1|N<3>,2|H<1>,6|C<3>}	I(C[6a]C[6a]2)	118.4137	0.242	3	118.4137	0.059	3	119.5894	1.437	7	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(I){1|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(C[6a]C[6a]I){1|N<3>,3|H<1>,5|C<3>}	I(C[6a]C[6a]2)	120.5650	0.755	3	120.5650	0.571	3	119.5894	1.437	7	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(I){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|C<4>,3|H<1>,5|C<3>}	I(C[6a]C[6a]2)	120.1900	0.000	1	120.1900	0.000	1	119.5894	1.437	7	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(I){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	I(C[6a]C[6a]2)	123.1187	0.865	3	123.1187	0.749	3	123.1100	0.384	5	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(I){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]O[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){3|C<3>,3|H<1>}	I(C[6a]C[6a]2)	123.2360	0.000	1	123.2360	0.000	1	123.1100	0.384	5	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(I)	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(I){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5a]N[5a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){3|C<3>,3|H<1>}	I(C[6a]C[6a]2)	122.9580	0.000	1	122.9580	0.000	1	123.1100	0.384	5	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]H)(I)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]H)(I){4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]I){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	I(C[6a]C[6a]2)	122.2720	0.000	1	122.2720	0.000	1	122.2720	0.000	1	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]N[6])(C[6a]C[6a]I){1|O<1>,2|H<1>,6|C<3>}	I(C[6a]C[6a]2)	120.1790	0.000	1	120.1790	0.000	1	120.1790	0.000	1	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(I)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]I)(C[6]C[6]2)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(I){5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]I)(C[6]C[6]2){4|H<1>,5|C<3>}	I(C[6a]C[6a]2)	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(I)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(I){5|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){4|H<1>,5|C<3>}	I(C[6a]C[6a]2)	120.8389	1.191	15	120.8389	1.419	15	120.6144	1.848	21	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]I)(I){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|I<1>,3|H<1>,5|C<3>}	I(C[6a]C[6a]2)	118.8295	0.699	2	118.8295	0.489	2	120.6144	1.848	21	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(I){6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|N<2>,3|H<1>,5|C<3>}	I(C[6a]C[6a]2)	119.6910	0.000	1	119.6910	0.000	1	120.6144	1.848	21	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(I){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	I(C[6a]C[6a]2)	118.8160	0.000	1	118.8160	0.000	1	120.6144	1.848	21	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(I){1|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	I(C[6a]C[6a]2)	121.3340	0.000	1	121.3340	0.000	1	120.6144	1.848	21	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a,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)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(I){4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	I(C[6a]C[6a]2)	122.8200	0.000	1	122.8200	0.000	1	120.6144	1.848	21	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]C)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(AsC[6a]2)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]C)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(AsC[6a]2){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	119.3550	0.000	1	119.3550	0.000	1	119.3550	0.000	1	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	118.8980	0.000	1	119.0595	3.138	4	120.0084	3.168	7	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO){1|O<2>,2|C<3>}	I(C[6a]C[6a]2)	119.1133	2.165	3	119.0595	3.138	4	120.0084	3.168	7	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.4730	0.000	1	121.4730	0.000	1	120.0084	3.168	7	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO){1|C<3>,2|O<2>}	I(C[6a]C[6a]2)	121.9260	0.000	1	121.1740	1.131	2	120.0084	3.168	7	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(BOO){1|C<3>,2|O<2>}	I(C[6a]C[6a]2)	120.4220	0.000	1	121.1740	1.131	2	120.0084	3.168	7	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(CC[6a]C)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(CC[6a]C){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	120.1290	0.000	1	120.1290	0.000	1	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(CNO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(CNO){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	122.0710	0.523	3	122.0710	0.273	3	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN[5a]O)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN[5a]O){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.2067	0.994	3	121.2067	0.988	3	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5]O)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5]O){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	123.4710	0.000	1	123.4710	0.000	1	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]H){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	120.6310	0.000	1	120.6310	0.000	1	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]O)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]O){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.9290	0.000	1	119.9290	0.000	1	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHN){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	122.2173	0.618	6	122.2173	0.382	6	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	122.1480	0.000	1	122.1480	0.000	1	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	123.2240	1.865	2	121.8828	1.933	20	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CNO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.7338	1.312	18	121.8828	1.933	20	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[5]O)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[5]O){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.0400	0.679	2	121.0400	0.461	2	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[6]O)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[6]O){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.4955	0.124	2	121.4955	0.015	2	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	123.7078	1.833	16	123.3790	3.605	20	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	122.0640	1.773	4	123.3790	3.605	20	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COP)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COP){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	123.4650	0.000	1	123.4650	0.000	1	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)2(CHO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(CHO){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	124.4850	0.000	1	124.4850	0.000	1	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COO){1|C<3>,2|I<1>}	I(C[6a]C[6a]2)	119.6528	0.874	6	119.6528	0.764	6	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]I)2(COO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(COO){1|C<3>,2|I<1>}	I(C[6a]C[6a]2)	116.8695	0.573	10	116.8695	0.329	10	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)2(COO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(COO){1|C<3>,1|N<2>,1|N<3>}	I(C[6a]C[6a]2)	119.6655	0.688	2	119.4224	0.962	25	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)2(COO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(COO){1|C<3>,2|N<3>}	I(C[6a]C[6a]2)	120.6620	0.212	4	119.4224	0.962	25	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)2(COO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(COO){1|N<3>,2|C<3>}	I(C[6a]C[6a]2)	119.1359	0.902	19	119.4224	0.962	25	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)2(CHO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(CHO){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	121.2530	0.000	1	121.2530	0.000	1	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(I)	C[6a](C[6a]C[6a]I)2(COO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(COO){1|N<3>,2|C<3>}	I(C[6a]C[6a]2)	119.9861	0.897	20	119.9861	0.805	20	120.8068	4.713	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(I){7|C<3>}	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|N<3>,2|H<1>,6|C<3>}	I(C[6a]C[6a]2)	118.6310	0.713	2	118.6310	0.508	2	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(I){7|C<3>}	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|N<3>,2|H<1>,6|C<3>}	I(C[6a]C[6a]2)	119.2090	0.000	1	119.2090	0.000	1	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(I){1|I<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]2)(C[6a]C[6a]I){3|H<1>,4|C<3>}	I(C[6a]C[6a]2)	119.6220	0.000	1	119.6220	0.000	1	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|B<3>,1|O<2>,2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	119.1397	1.598	3	118.9250	1.888	4	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]B)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|B<3>,3|C<3>,3|H<1>}	I(C[6a]C[6a]2)	118.2810	0.000	1	118.9250	1.888	4	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(I){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]I){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	I(C[6a]C[6a]2)	118.5430	0.000	1	118.5430	0.000	1	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(I){2|F<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]I){3|C<3>,4|F<1>}	I(C[6a]C[6a]2)	120.6723	0.297	3	120.6723	0.088	3	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)2	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(I){1|F<1>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)2{3|C<3>,4|F<1>}	I(C[6a]C[6a]2)	121.7224	0.597	15	121.7224	0.356	15	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	120.9150	0.000	1	120.9150	0.000	1	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]I){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	121.0390	0.000	1	121.0390	0.000	1	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){3|C<3>,4|H<1>}	I(C[6a]C[6a]2)	120.7100	0.000	1	120.9354	0.312	9	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|I<1>,3|C<3>,3|H<1>}	I(C[6a]C[6a]2)	122.2590	0.000	1	120.9354	0.312	9	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){3|C<3>,4|H<1>}	I(C[6a]C[6a]2)	120.4770	0.000	1	120.9354	0.312	9	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|S<3>,2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	121.0700	0.000	1	120.9354	0.312	9	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|Cl<1>,1|S<3>,2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	120.8760	0.349	3	120.9354	0.312	9	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){3|H<1>,4|C<3>}	I(C[6a]C[6a]2)	120.6375	0.176	2	120.9354	0.312	9	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(C[6a]C[6a]O)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(C[6a]C[6a]O){1|I<1>,1|O<2>,2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	121.4405	0.349	2	121.4405	0.122	2	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(C[6a]N[6a]F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(C[6a]N[6a]F){1|F<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	121.7825	0.156	2	121.7825	0.024	2	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)2	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|I<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)2{1|H<1>,1|O<2>,2|I<1>,3|C<3>}	I(C[6a]C[6a]2)	120.1950	0.000	1	120.1950	0.000	1	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)2(C[6a]N[6a]2)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|I<1>,2|N<2>}	C[6a](C[6a]C[6a]I)2(C[6a]N[6a]2){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	120.5120	0.366	2	120.5120	0.134	2	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)2	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(I){1|I<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)2{1|H<1>,1|O<2>,2|I<1>,3|C<3>}	I(C[6a]C[6a]2)	120.7070	0.000	1	120.7070	0.000	1	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|Cl<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	121.2585	0.380	2	121.2585	0.144	2	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)2	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)2{1|Br<1>,1|H<1>,1|N<2>,2|C<3>,2|I<1>}	I(C[6a]C[6a]2)	121.6580	0.742	2	121.6063	0.199	4	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)2	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)2{1|H<1>,1|N<2>,2|C<3>,3|I<1>}	I(C[6a]C[6a]2)	121.5545	0.187	2	121.6063	0.199	4	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Br<1>,1|H<1>,1|N<2>,2|C<3>,2|I<1>}	I(C[6a]C[6a]2)	121.1595	0.325	2	121.1933	0.057	4	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I){2|Br<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	121.2270	0.246	2	121.1933	0.057	4	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Br<1>,1|Cl<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	121.2835	0.115	2	121.1642	0.024	4	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(I){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|I<1>}	I(C[6a]C[6a]2)	121.0450	0.054	2	121.1642	0.024	4	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)2	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)2{1|H<1>,1|N<2>,2|C<3>,3|I<1>}	I(C[6a]C[6a]2)	119.2500	0.000	1	119.2500	0.000	1	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Br<1>,1|H<1>,1|N<2>,2|C<3>,2|I<1>}	I(C[6a]C[6a]2)	118.7280	0.648	2	118.7280	0.420	2	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]I)(I){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>,2|I<1>}	I(C[6a]C[6a]2)	118.6320	0.103	2	118.6320	0.011	2	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]N[6a]S)(I){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	I(C[6a]C[6a]2)	120.1830	0.000	1	120.1830	0.000	1	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(I){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	I(C[6a]C[6a]2)	119.2231	1.136	8	118.9849	0.659	28	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(I){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<4>,2|H<1>,4|C<3>}	I(C[6a]C[6a]2)	118.3270	0.000	1	118.9849	0.659	28	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(I){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|Cl<1>,2|C<4>,4|C<3>}	I(C[6a]C[6a]2)	118.7507	0.208	4	118.9849	0.659	28	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(I){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|H<1>,2|C<4>,4|C<3>}	I(C[6a]C[6a]2)	118.8622	0.887	6	118.9849	0.659	28	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(I){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|Si<4>,2|C<4>,4|C<3>}	I(C[6a]C[6a]2)	118.6200	0.150	2	118.9849	0.659	28	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(I){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){3|C<4>,4|C<3>}	I(C[6a]C[6a]2)	118.8775	0.575	2	118.9849	0.659	28	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(I){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){3|H<1>,4|C<3>}	I(C[6a]C[6a]2)	119.2588	0.785	5	118.9849	0.659	28	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]2)2(I)	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(I){7|C<3>}	C[6a](C[6a]C[6a]2)2(C[6a]C[6a]I){1|I<1>,2|H<1>,6|C<3>}	I(C[6a]C[6a]2)	119.0640	1.160	2	119.0640	1.345	2	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)2	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I){1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)2{1|Br<1>,1|H<1>,1|N<2>,2|C<3>,2|I<1>}	I(C[6a]C[6a]2)	120.0315	0.227	2	120.0315	0.052	2	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I){2|Br<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	119.8635	0.637	2	119.8635	0.406	2	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]2)(I){1|Cl<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Br<1>,1|Cl<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	119.1860	0.218	2	119.1860	0.047	2	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(I){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Br<1>,1|Cl<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	120.2390	0.437	2	120.5822	0.860	6	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(I){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Br<1>,1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.0760	1.188	2	120.5822	0.860	6	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)(I){1|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]I){1|Cl<1>,1|I<1>,1|N<2>,2|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.4315	0.711	2	120.5822	0.860	6	120.1928	1.683	108	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)2(NCH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(NCH){1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	118.3190	0.000	1	118.8282	0.264	5	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)2(NCH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(NCH){1|N<3>,2|C<3>}	I(C[6a]C[6a]2)	118.9555	0.494	4	118.8282	0.264	5	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)2(NHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(NHH){3|C<3>}	I(C[6a]C[6a]2)	118.9243	0.963	20	118.9243	0.928	20	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){2|Cl<1>,1|C<3>}	I(C[6a]C[6a]2)	122.8090	0.000	1	122.8090	0.000	1	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.4170	0.000	1	120.3692	0.534	4	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.0200	0.264	3	120.3692	0.534	4	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCP)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCP){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	122.0110	0.000	1	122.0110	0.000	1	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NC[6]C)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NC[6]C){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.7640	0.855	4	120.7640	0.730	4	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NOO){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	121.9890	0.000	1	121.9890	0.000	1	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.1400	0.000	1	121.0171	0.407	14	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|Br<1>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	121.1460	0.438	2	121.0171	0.407	14	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.0699	0.609	8	121.0171	0.407	14	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.0960	0.000	1	121.0171	0.407	14	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.5760	0.444	2	121.0171	0.407	14	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	121.4680	0.000	1	120.6191	0.561	29	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.1205	0.134	2	120.6191	0.561	29	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.5625	0.769	25	120.6191	0.561	29	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.1820	0.000	1	120.6191	0.561	29	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCS){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.2320	0.000	1	121.2320	0.000	1	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5]H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5,5]H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.9030	0.404	2	120.9030	0.164	2	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H){1|Br<1>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	122.7070	0.000	1	121.5790	2.545	2	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.4510	0.000	1	121.5790	2.545	2	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5a]H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5a]H){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.2850	0.000	1	121.2850	0.000	1	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6]C)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6]C){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.3600	0.000	1	121.3600	0.000	1	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.2310	0.000	1	119.9959	0.473	12	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.1698	0.567	6	119.9959	0.473	12	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.0240	0.000	1	119.9959	0.473	12	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.9280	0.000	1	119.9959	0.473	12	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.8180	0.000	1	119.9959	0.473	12	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.4655	1.083	2	119.9959	0.473	12	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHS)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHS){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.0210	0.000	1	119.0210	0.000	1	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	126.6010	1.013	4	127.0022	1.575	5	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	128.6070	0.000	1	127.0022	1.575	5	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NPdC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NPdC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.3180	0.000	1	119.3180	0.000	1	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(NHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]O)(NHH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.8080	0.000	1	119.8080	0.000	1	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)2(NHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)2(NHH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	119.6410	0.541	3	119.6410	0.292	3	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)2(NOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(NOO){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	123.3340	0.000	1	123.1010	0.109	2	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]I)2(NOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(NOO){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	122.8680	0.000	1	123.1010	0.109	2	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	119.3310	0.000	1	119.6223	0.296	3	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,1|I<1>,1|O<2>}	I(C[6a]C[6a]2)	119.7680	0.682	2	119.6223	0.296	3	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)2(NOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(NOO){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	121.6080	0.000	1	121.6080	0.000	1	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHH){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	119.0890	0.000	1	119.0890	0.000	1	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(I)	C[6a](C[6a]C[6a]I)2(NCH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(NCH){1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	120.6970	0.000	1	119.4714	0.471	5	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(I)	C[6a](C[6a]C[6a]I)2(NCH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(NCH){1|N<3>,2|C<3>}	I(C[6a]C[6a]2)	119.1650	0.048	4	119.4714	0.471	5	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(I)	C[6a](C[6a]C[6a]I)2(NOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(NOO){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	121.4210	0.000	1	121.6193	0.362	4	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:	C[6a](C[6a]C[6a]N)2(I)	C[6a](C[6a]C[6a]I)2(NOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)2(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(NOO){1|C<3>,2|N<3>}	I(C[6a]C[6a]2)	121.6853	0.719	3	121.6193	0.362	4	120.5331	3.181	125	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5]C[5]2)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5]C[5]2){2|H<1>,2|O<1>,3|C<3>}	I(C[6a]C[6a]2)	120.5700	0.891	2	120.5700	0.794	2	120.5700	0.794	2	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){1|Cl<1>,1|H<1>,3|C<3>}	I(C[6a]C[6a]2)	121.6360	0.000	1	121.6360	0.000	1	122.4731	3.913	7	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I)	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(N[5a]N[5a]2)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(I){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[6a](C[6a]C[6a]I)(C[6a]C[6a]S)(N[5a]N[5a]2){2|Cl<1>,3|C<3>}	I(C[6a]C[6a]2)	119.6870	0.000	1	119.6870	0.000	1	122.4731	3.913	7	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	121.7175	1.484	2	123.1978	3.097	5	122.4731	3.913	7	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	123.5140	0.426	2	123.1978	3.097	5	122.4731	3.913	7	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[5a]N[5a]2){1|Cl<1>,1|H<1>,3|C<3>}	I(C[6a]C[6a]2)	125.5260	0.000	1	123.1978	3.097	5	122.4731	3.913	7	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(I){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	I(C[6a]C[6a]2)	120.9480	0.000	1	120.9480	0.000	1	120.8485	0.020	2	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]O)(I){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6]C[6]2){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	I(C[6a]C[6a]2)	120.7490	0.000	1	120.7490	0.000	1	120.8485	0.020	2	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6a]C[6a]2)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(N[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.6248	0.557	4	120.6248	0.310	4	120.7340	0.229	6	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(I){1|C<4>,1|I<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	I(C[6a]C[6a]2)	120.9525	0.262	2	120.9525	0.069	2	120.7340	0.229	6	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:O-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]I)(OLiC)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(I){1|Al<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]I)(OLiC){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.6580	0.000	1	121.6580	0.000	1	121.6580	0.000	1	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(PC[6a]2)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(I){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(PC[6a]2){1|C<3>,2|F<1>}	I(C[6a]C[6a]2)	123.4640	0.000	1	123.4640	0.000	1	123.4640	0.000	1	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(I)	C[6a](N[5]C[5,5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](N[5]C[5,5a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]I){1|S<1>,2|C<3>,2|H<1>,2|S<2>}	I(C[6a]C[6a]2)	119.6370	0.000	1	119.6370	0.000	1	120.8355	2.873	2	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(I)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]H)(C[6a]C[6a]I){1|O<1>,2|H<1>,4|C<3>}	I(C[6a]C[6a]2)	122.0340	0.000	1	122.0340	0.000	1	120.8355	2.873	2	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	120.6980	0.000	1	121.8214	0.744	5	121.4352	1.453	9	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	122.1970	0.000	1	121.8214	0.744	5	121.4352	1.453	9	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<2>,2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	122.0707	0.832	3	121.8214	0.744	5	121.4352	1.453	9	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|I<1>,2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	119.8620	0.000	1	119.8620	0.000	1	121.4352	1.453	9	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl)(I)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]I)2	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl)(I){1|I<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]I)2{1|Cl<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	119.6110	0.000	1	119.6110	0.000	1	121.4352	1.453	9	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I){1|H<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]I){1|I<1>,1|N<2>,2|C<3>,2|H<1>}	I(C[6a]C[6a]2)	122.8840	0.000	1	122.8840	0.000	1	121.4352	1.453	9	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]I)2	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)(I){1|I<1>,1|N<2>,2|C<3>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]I)2{1|Cl<1>,1|H<1>,1|I<1>,1|N<2>,2|C<3>}	I(C[6a]C[6a]2)	121.4530	0.000	1	121.4530	0.000	1	121.4352	1.453	9	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I){1|H<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|O<1>,3|H<1>,5|C<3>}	I(C[6a]C[6a]2)	120.5830	0.000	1	120.7005	0.028	2	120.7005	0.028	2	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I)	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]N[6a,6a]C[6a])(C[6a]C[6a]O)(I){1|I<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]I){1|O<1>,3|H<1>,5|C<3>}	I(C[6a]C[6a]2)	120.8180	0.000	1	120.7005	0.028	2	120.7005	0.028	2	120.5541	3.163	455	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(CCHH)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(I){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(CCHH){1|O<2>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	117.9830	0.000	1	117.9830	0.000	1	117.9830	0.000	1	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(I)	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]P)(PC[6a]2Pt)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(I){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]P)(PC[6a]2Pt){1|I<1>,2|C<3>}	I(C[6a]C[6a,6a]C[6a])	121.3055	0.515	2	121.3055	0.266	2	121.3055	0.266	2	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6a]-3:I-1:	N[5a,6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[3])(I)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]I)(C[3]C[3]2H)	I(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]C[3])(I){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]I)(C[3]C[3]2H){4|C<3>,4|H<1>}	I(C[6a]C[6a,6a]C[6a])	117.6010	0.000	1	117.6010	0.000	1	117.6010	0.000	1	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(I)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(CCHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(I){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]I)(CCHH){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	122.6310	0.000	1	122.6310	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(I)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]I)(CH3){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	120.8280	0.000	1	120.8280	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(I)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(I){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]I)(CH3){1|C<3>,1|H<1>,1|N<3>}	I(C[6a]C[6a]2)	121.3430	0.000	1	121.3430	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(I){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|H<1>,2|C<3>}	I(C[6a]C[6a]2)	118.0460	0.000	1	118.0460	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]C)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]C)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|As<3>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	117.7820	0.000	1	117.7820	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN[5]HH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN[5]HH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	123.6490	0.000	1	123.6490	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CBrHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CBrHH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.4130	0.000	1	121.4130	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.7000	0.552	2	120.7000	0.304	2	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCCO){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	127.3025	0.730	2	127.3025	0.534	2	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCFF)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCFF){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	125.0570	0.000	1	125.0570	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	121.1020	0.000	1	121.5338	1.044	5	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.7415	0.540	2	121.5338	1.044	5	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	122.5420	0.641	2	121.5338	1.044	5	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5,6]HO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5,6]HO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	122.7335	0.698	2	122.7335	0.487	2	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5]HH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5]HH){1|Br<1>,1|C<3>,1|H<1>}	I(C[6a]C[6a]2)	122.2560	0.000	1	121.3767	0.581	3	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5]HH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[5]HH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.9370	0.054	2	121.3767	0.581	3	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]HH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]HH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.9670	2.016	3	120.9670	4.065	3	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.8840	0.000	1	120.8840	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]CO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	125.6240	2.146	4	125.6240	4.607	4	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]HH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]HH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	122.6130	0.000	1	122.6130	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]HO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]HO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.6120	0.000	1	120.6120	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	120.5870	0.000	1	120.6695	0.027	4	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	120.7445	0.240	2	120.6695	0.027	4	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.6020	0.000	1	120.6695	0.027	4	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHN)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHN){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.5480	2.065	2	120.5480	4.263	2	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CHHO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.3900	0.000	1	120.3900	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[3x6]HH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[3x6]HH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.5150	0.000	1	121.5150	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[6a]CH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CN[6a]CH){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.7590	0.000	1	121.7590	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COOU)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(COOU){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	124.5560	0.130	2	124.5560	0.017	2	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)2(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|I<1>}	C[6a](C[6a]C[6a]I)2(CH3){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	120.4830	0.326	3	120.9486	0.460	5	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]I)2(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(I){1|C<3>,1|I<1>,1|N<3>}	C[6a](C[6a]C[6a]I)2(CH3){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.6470	0.011	2	120.9486	0.460	5	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(I){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[6a]2)	117.6487	0.551	6	117.6487	0.303	6	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CCHH){1|C<3>,1|C<4>,1|O<2>}	I(C[6a]C[6a]2)	120.8310	0.000	1	120.8310	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]HH)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]2)	121.6470	0.000	1	121.6470	0.000	1	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]I)2(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)2(CH3){1|C<3>,2|O<2>}	I(C[6a]C[6a]2)	120.7812	1.420	4	120.7812	2.016	4	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(I)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(CH3){2|C<4>,3|C<3>}	I(C[6a]C[6a]2)	117.8843	0.326	7	117.8843	0.106	7	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CH3){1|C<3>,1|C<4>,1|H<1>}	I(C[6a]C[6a]2)	117.5055	0.077	2	117.5790	0.024	4	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(I){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CH3){1|C<4>,2|C<3>}	I(C[6a]C[6a]2)	117.6525	0.214	2	117.5790	0.024	4	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]2H)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]2H){1|C<3>,2|C<4>}	I(C[6a]C[6a]2)	118.8845	0.186	2	118.8845	0.035	2	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|C<3>,2|C<4>}	I(C[6a]C[6a]2)	117.2370	0.119	2	118.1889	1.140	8	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CH3){1|Br<1>,1|C<3>,1|C<4>}	I(C[6a]C[6a]2)	118.5062	1.053	6	118.1889	1.140	8	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(I)	C[6a](C[6a]C[6a]I)2(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(I){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]I)2(CH3){1|C<3>,2|C<4>}	I(C[6a]C[6a]2)	120.2815	0.375	2	118.1686	0.492	52	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(I)	C[6a](C[6a]C[6a]I)2(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(CH3){1|C<3>,2|C<4>}	I(C[6a]C[6a]2)	117.9871	0.507	42	118.1686	0.492	52	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(I)	C[6a](C[6a]C[6a]I)2(CH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(I){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]I)2(CH3){1|C<3>,2|C<4>}	I(C[6a]C[6a]2)	118.5935	0.618	8	118.1686	0.492	52	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:	C[6a](C[6a]C[6a]C)2(I)	C[6a](C[6a]C[6a]I)2(CHHO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(I){1|C<3>,2|I<1>}	C[6a](C[6a]C[6a]I)2(CHHO){1|C<3>,2|C<4>}	I(C[6a]C[6a]2)	118.4036	0.367	11	118.4036	0.135	11	119.5299	5.322	144	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	I(C[6a]C[6a]2)	123.7280	0.000	1	123.7280	0.000	1	123.7430	0.000	2	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(I){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	I(C[6a]C[6a]2)	123.7580	0.000	1	123.7580	0.000	1	123.7430	0.000	2	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NH3){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	122.3105	0.134	2	122.3105	0.018	2	122.3105	0.018	2	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(PCCO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(PCCO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	125.4990	0.000	1	125.4990	0.000	1	125.4990	0.000	1	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(SClOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(SClOO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	125.0170	0.000	1	125.0170	0.000	1	124.6117	0.213	6	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(SNOO)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(SNOO){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	124.6600	0.453	3	124.6600	0.206	3	124.6117	0.213	6	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(SO3)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(SO3){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	124.3365	0.573	2	124.3365	0.329	2	124.6117	0.213	6	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	3:3:4:	3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(SiC[6a]2F)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(I){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(SiC[6a]2F){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	121.5770	0.000	1	121.5770	0.000	1	121.5770	0.000	1	119.8585	6.310	160	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	B[6,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]B[6,6]C[6a])(C[6a]C[6a]H)(I)	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]B[6,6]C[6a])(C[6a]C[6a]H)(I){1|C<3>,2|H<1>,3|O<2>}	C[6a](B[6,6]O[6,6]O[6]2)(C[6a]C[6a]H)(C[6a]C[6a]I){1|B<4>,2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	121.8520	0.523	2	121.8520	0.274	2	121.8520	0.274	2	122.0076	0.332	7	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(I)	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(I){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5]C[5,5]C[5]H)(C[6a]C[6a]H)(C[6a]C[6a]I){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	I(C[6a]C[6a]2)	122.4700	0.000	1	122.4700	0.000	1	122.4700	0.000	1	122.0076	0.332	7	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	I(C[6a]C[6a]2)	122.7450	0.000	1	122.7450	0.000	1	121.8660	0.660	3	122.0076	0.332	7	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,2|C<4>,4|H<1>}	I(C[6a]C[6a]2)	121.4265	0.402	2	121.4265	0.162	2	121.8660	0.660	3	122.0076	0.332	7	120.2332	3.291	6331	120.2505	3.377	6431
643	643	944	0:SP2_SP-NON_SP2	C[6a]	C[6a]	I	3:3:1:	4:3:3:	3:	C[6a]-3:C[6a]-3:I-1:	P-4:C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(I)	C[6a](PC[6a]C[5]B)(C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(I){1|C<3>,2|H<1>}	C[6a](PC[6a]C[5]B)(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,2|H<1>}	I(C[6a]C[6a]2)	122.2810	0.000	1	122.2810	0.000	1	122.2810	0.000	1	122.0076	0.332	7	120.2332	3.291	6331	120.2505	3.377	6431
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6,6,6a]	P	3:3:3:	3:4:3:	3:3:3:	C[6,6,6a]-3:C[6a]-3:P-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PC[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	P(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PC[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	P(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)2	119.6390	0.000	1	119.6390	0.000	1	119.6390	0.000	1	119.6390	0.000	1	119.6390	0.000	1	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6,6a]	P	3:3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:O-2:O-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(POO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	P(C[6a]C[6,6a]C[6a])(OC[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(POO){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	P(C[6a]C[6,6a]C[6a])(OC[6a])2	117.3600	0.393	2	117.3600	0.155	2	117.3600	0.155	2	117.3600	0.155	2	118.5850	4.786	23	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6,6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:P-3:	C[5,6,6a]-3:C[6a]-3:C[6]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(PC[6a]2)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]P)(C[6]C[6])	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]P)(C[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	118.6910	0.000	1	118.6910	0.000	1	118.6910	0.000	1	118.6934	5.969	15	118.5850	4.786	23	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6,6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6])	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	117.0170	0.559	2	117.0170	0.312	2	118.4028	6.951	12	118.6934	5.969	15	118.5850	4.786	23	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6,6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6])	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|H<1>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	122.5460	5.013	2	122.5460	25.134	2	118.4028	6.951	12	118.6934	5.969	15	118.5850	4.786	23	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6,6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	117.4600	0.959	4	117.4600	0.919	4	118.4028	6.951	12	118.6934	5.969	15	118.5850	4.786	23	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6,6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a])	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]P)(O[6]C[6,6a]){3|C<3>,3|H<1>}	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	116.8240	0.040	2	116.8240	0.002	2	118.4028	6.951	12	118.6934	5.969	15	118.5850	4.786	23	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6,6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]P)(O[6]C[6,6a])	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2){1|C<4>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|H<1>,3|C<3>}	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	119.1095	0.739	2	119.1095	0.546	2	118.4028	6.951	12	118.6934	5.969	15	118.5850	4.786	23	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6,6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:N-3:N-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PNN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	P(C[6a]C[6,6a]C[6a])(NCC)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PNN){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	P(C[6a]C[6,6a]C[6a])(NCC)2	120.4385	0.026	2	120.4385	0.001	2	120.4385	0.001	2	118.6934	5.969	15	118.5850	4.786	23	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6,6a]	P	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6])	P(C[6a]C[6,6a]C[6a])(CC3)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC){1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	P(C[6a]C[6,6a]C[6a])(CC3)2	117.3820	0.007	2	117.3820	0.000	2	118.0670	1.345	5	118.0670	1.345	5	118.5850	4.786	23	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6,6a]	P	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6])	P(C[6a]C[6,6a]C[6a])(CCCH)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC){1|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	P(C[6a]C[6,6a]C[6a])(CCCH)2	117.9460	1.346	2	117.9460	1.813	2	118.0670	1.345	5	118.0670	1.345	5	118.5850	4.786	23	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6,6a]	P	3:3:3:	3:3:2:	3:4:4:	C[6,6a]-3:C[6a]-3:P-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	P(C[6a]C[6,6a]C[6a])(CCCH)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	P(C[6a]C[6,6a]C[6a])(CCCH)2	119.6790	0.000	1	119.6790	0.000	1	118.0670	1.345	5	118.0670	1.345	5	118.5850	4.786	23	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6a]-3:P-3:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(PCC)	C[6,6a](C[5,6]C[5,6,6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]P)	P(C[6a]C[6,6a]C[6a])(CCCH)2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(PCC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[5,6]C[5,6,6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]P){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	P(C[6a]C[6,6a]C[6a])(CCCH)2	122.0000	0.000	1	122.0000	0.000	1	122.0000	0.000	1	122.0000	0.000	1	118.5850	4.786	23	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:2:3:	3:3:3:	3:1:1:	C[6a,6a]-3:N[6a]-2:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Cl-1:Cl-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PCl2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]P)	P(C[6a]C[6a,6a]N[6a])(Cl)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PCl2){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]N[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[6a,6a]N[6a])(Cl)2	129.8590	0.000	1	129.8590	0.000	1	129.8590	0.000	1	129.8590	0.000	1	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)(N[6a]C[6a])	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)(N[6a]C[6a]){2|C<3>,4|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	116.0010	0.000	1	116.0010	0.000	1	117.3455	0.987	4	117.3455	0.987	4	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a])	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	117.9670	0.000	1	117.7937	0.276	3	117.3455	0.987	4	117.3455	0.987	4	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a])	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]P)(N[6a]C[6a]){2|C<3>,3|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	117.7070	0.711	2	117.7937	0.276	3	117.3455	0.987	4	117.3455	0.987	4	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PHH)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2	P(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PHH){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2{2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(H)2	124.5010	0.000	1	124.5010	0.000	1	124.5010	0.000	1	120.8206	8.653	5	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Se-1:Se-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PSe2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2	P(C[6a]C[6a,6a]C[6a])(Se)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PSe2){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2{2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(Se)2	116.3630	0.000	1	116.3630	0.000	1	116.3630	0.000	1	120.8206	8.653	5	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:1:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)2	P(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PHH){1|H<1>,1|P<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)2{2|C<3>,4|H<1>}	P(C[6a]C[6a,6a]C[6a])(H)2	121.0797	0.705	3	121.0797	0.497	3	121.0797	0.497	3	120.8206	8.653	5	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:2:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(POO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(OC[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(POO){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,4|H<1>}	P(C[6a]C[6a,6a]C[6a])(OC[6])(O)	122.9100	0.000	1	122.9100	0.000	1	122.9100	0.000	1	122.9100	0.000	1	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(POO)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(OC[6a])2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(POO){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]P){2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(OC[6a])2	123.9070	0.000	1	123.9070	0.000	1	123.9070	0.000	1	124.2945	0.300	2	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(POO)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(OC)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(POO){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]P){2|C<3>,4|H<1>}	P(C[6a]C[6a,6a]C[6a])(OC)2	124.6820	0.000	1	124.6820	0.000	1	124.6820	0.000	1	124.2945	0.300	2	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]H)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2{2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	122.3000	0.000	1	122.3000	0.000	1	122.3000	0.000	1	118.9826	4.252	5	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])2(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]Cl){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,4|H<1>}	P(C[6a]C[6a,6a]C[6a])2(Cl)	117.7765	0.617	2	117.7765	0.381	2	117.7765	0.381	2	118.9826	4.252	5	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]H){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]P){3|C<3>,3|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	118.5300	1.517	2	118.5300	2.303	2	118.5300	2.303	2	118.9826	4.252	5	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[5a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[5a]C){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,4|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CC)	118.3310	0.000	1	118.3310	0.000	1	118.3310	0.000	1	118.3310	0.000	1	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PNN)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]P)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]2)(NCC)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PNN){2|P<3>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]P)(C[6a]C[6a]P){3|C<3>,3|H<1>}	P(C[6a]C[6a,6a]2)(NCC)2	120.2480	0.391	4	120.2480	0.153	4	120.2480	0.153	4	120.0808	6.260	28	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,4|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	118.6720	0.390	2	118.6720	0.152	2	118.5596	0.367	5	120.0808	6.260	28	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,4|C<3>}	P(C[6a]C[6a,6a]C[6a])3	118.4847	0.798	3	118.4847	0.637	3	118.5596	0.367	5	120.0808	6.260	28	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[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)(PC[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){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]P){2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	123.5560	0.000	2	123.5560	0.000	2	121.0414	3.814	10	120.0808	6.260	28	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[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)(PC[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2{2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	123.6710	0.000	1	123.6710	0.000	1	121.0414	3.814	10	120.0808	6.260	28	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[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)(PC[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sb)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|Sb<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sb)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	117.8130	0.000	1	117.8130	0.000	1	121.0414	3.814	10	120.0808	6.260	28	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[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)(PC[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|Si<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Si)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.1703	0.327	3	120.1703	0.107	3	121.0414	3.814	10	120.0808	6.260	28	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[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)(PC[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|Sn<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.1825	0.605	2	120.1825	0.366	2	121.0414	3.814	10	120.0808	6.260	28	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[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)(PC[6a]2)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Te)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|Te<2>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Te)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.9420	0.000	1	120.9420	0.000	1	121.0414	3.814	10	120.0808	6.260	28	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3: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]H)(PC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|B<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]P){2|C<3>,4|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	117.4920	0.000	1	117.4920	0.000	1	119.7843	13.882	9	120.0808	6.260	28	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3: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]H)(PC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|F<1>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(C[6a]C[6a]P){2|C<3>,2|F<1>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	121.7150	0.000	1	121.7150	0.000	1	119.7843	13.882	9	120.0808	6.260	28	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3: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]H)(PC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)(C[6a]C[6a]S)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)(C[6a]C[6a]S){2|C<3>,4|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	123.6485	0.583	2	123.6485	0.340	2	119.7843	13.882	9	120.0808	6.260	28	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3: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]H)(PC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)2	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|P<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)2{2|C<3>,4|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	117.0468	3.112	4	117.0468	9.683	4	119.7843	13.882	9	120.0808	6.260	28	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3: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]H)(PC[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|Se<2>,1|H<1>,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>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	123.3680	0.000	1	123.3680	0.000	1	119.7843	13.882	9	120.0808	6.260	28	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C){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]P){2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	122.4340	0.000	1	122.4340	0.000	1	123.4890	4.648	7	123.4890	4.648	7	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2	P(C[6a]C[6a,6a]C[6a])2(CCCH)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2{2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])2(CCCH)	124.5200	1.270	2	123.6648	5.318	6	123.4890	4.648	7	123.4890	4.648	7	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2	P(C[6a]C[6a,6a]C[6a])2(CCCH)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C){1|H<1>,1|P<4>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2{2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])2(CCCH)	123.2373	2.756	4	123.6648	5.318	6	123.4890	4.648	7	123.4890	4.648	7	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[5]H)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2	P(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[5]H){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2{2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(H)	122.8970	0.000	1	122.8970	0.000	1	122.8970	0.000	1	122.8970	0.000	1	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C[5])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C[5]){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<3>,4|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(C[6a]C[6a]2)	118.5230	0.882	2	118.5230	0.779	2	118.5230	0.779	2	118.5230	0.779	2	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a,6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]P)(C[6a]C[6a]H)	P(C[6a]C[6a,6a]2)(CCCH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PCC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]P)(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	P(C[6a]C[6a,6a]2)(CCCH)2	120.7035	6.291	2	120.5643	26.343	4	120.5643	26.343	4	119.6989	13.276	35	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a,6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]P)(C[6a]C[6a]H)	P(C[6a]C[6a,6a]2)(CCCH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PCC){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]P)(C[6a]C[6a]H){3|C<3>,3|H<1>}	P(C[6a]C[6a,6a]2)(CCCH)2	120.4250	6.275	2	120.5643	26.343	4	120.5643	26.343	4	119.6989	13.276	35	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|As<1>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	115.6805	4.167	2	119.5541	19.400	9	120.2906	15.194	19	119.6989	13.276	35	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|As<2>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	111.8160	0.000	1	119.5541	19.400	9	120.2906	15.194	19	119.6989	13.276	35	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|As<3>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	122.1350	1.263	6	119.5541	19.400	9	120.2906	15.194	19	119.6989	13.276	35	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){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]P){2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	122.8230	0.000	1	122.8230	0.000	1	120.2906	15.194	19	119.6989	13.276	35	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Br)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(CF3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){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]P){2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(CF3)2	121.4960	0.000	1	121.4960	0.000	1	120.2906	15.194	19	119.6989	13.276	35	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]P)2{2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	120.4349	4.120	7	120.4349	16.977	7	120.2906	15.194	19	119.6989	13.276	35	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|Sn<4>,1|H<1>,3|C<3>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]Sn)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	122.1710	0.000	1	122.1710	0.000	1	120.2906	15.194	19	119.6989	13.276	35	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(PCC)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(PCC){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6a]C[6a]P){3|C<3>,3|H<1>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	118.8950	0.000	1	118.8950	0.000	1	118.4735	6.473	12	119.6989	13.276	35	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){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]P){3|C<3>,3|H<1>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	118.6750	0.850	2	118.6750	0.722	2	118.4735	6.473	12	119.6989	13.276	35	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]P)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|H<1>,1|P<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]P)(C[6a]C[6a]P){3|C<3>,3|H<1>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	114.7350	2.793	2	117.0620	5.448	6	118.4735	6.473	12	119.6989	13.276	35	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]P)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]P)(C[6a]C[6a]P){3|C<3>,3|H<1>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	118.2255	1.031	4	117.0620	5.448	6	118.4735	6.473	12	119.6989	13.276	35	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]P)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|B<3>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]B)(C[6a]C[6a]P){2|C<3>,4|H<1>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	118.3880	0.000	1	118.3880	0.000	1	118.4735	6.473	12	119.6989	13.276	35	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a,6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)2	P(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|H<1>,1|P<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]P)2{2|C<3>,4|H<1>}	P(C[6a]C[6a,6a]C[6a])(CH3)2	122.3385	1.070	2	122.3385	1.145	2	118.4735	6.473	12	119.6989	13.276	35	120.2628	10.780	92	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	2:3:3:	3:3:1:	3:1:1:	N[6a]-2:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Cl-1:Cl-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(PCl2)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]P)(H)	P(C[6a]C[6a]N[6a])(Cl)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(PCl2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]P)(H){2|C<3>}	P(C[6a]C[6a]N[6a])(Cl)2	126.7150	0.000	1	126.7150	0.000	1	126.7150	0.000	1	126.7150	0.000	1	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	124.7390	0.000	1	124.7390	0.000	1	124.7390	0.000	1	124.1169	4.544	15	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]P)(H)	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	124.9110	0.000	1	124.9110	0.000	1	124.1354	0.539	10	124.1169	4.544	15	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	123.2430	0.629	3	123.2430	0.396	3	124.1354	0.539	10	124.1169	4.544	15	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	P(C[6a]C[6a]N[6a])3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]N[6a])3	124.8240	0.000	1	124.4523	0.094	6	124.1354	0.539	10	124.1169	4.544	15	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	P(C[6a]C[6a]N[6a])3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]N[6a])3	124.3780	0.275	5	124.4523	0.094	6	124.1354	0.539	10	124.1169	4.544	15	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[5a]-3:N[5a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PN[5a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	P(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PN[5a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])2	125.4575	0.899	2	125.4575	0.808	2	125.4575	0.808	2	124.1169	4.544	15	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	P(C[6a]C[6a]N[6a])(PCC)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]N[6a])(PCC)2	117.4800	0.000	1	117.4800	0.000	1	122.3730	47.883	2	124.1169	4.544	15	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:2:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	P(C[6a]C[6a]N[6a])(PC[6]2)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]N[6a])(PC[6]2)2	127.2660	0.000	1	127.2660	0.000	1	122.3730	47.883	2	124.1169	4.544	15	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:2:3:	3:3:1:	3:4:3:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	P(C[6a]C[6a]N[6a])(PC[6]2C)(PC[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]N[6a])(PC[6]2C)(PC[6]2)	118.2430	0.000	1	118.2430	0.000	1	118.2430	0.000	1	118.2430	0.000	1	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PCC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	P(C[6a]C[6a]N[6a])(CCCH)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PCC){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]N[6a])(CCCH)2	123.7915	0.770	2	123.7915	0.593	2	123.7915	0.593	2	121.5273	15.676	3	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:2:3:	3:3:1:	3:4:4:	C[6a]-3:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	P(C[6a]C[6a]N[6a])(PC[6]2C)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,1|H<1>}	P(C[6a]C[6a]N[6a])(PC[6]2C)2	116.9990	0.000	1	116.9990	0.000	1	116.9990	0.000	1	121.5273	15.676	3	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PHH)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PHH){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(H)2	117.3200	0.000	1	117.3200	0.000	1	118.8625	1.267	4	120.2061	8.197	9	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PHH)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PHH){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(H)2	119.3767	0.561	3	119.3767	0.315	3	118.8625	1.267	4	120.2061	8.197	9	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:1:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Se-1:Se-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PSe2)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(Se)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PSe2){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(Se)2	126.1070	0.000	1	126.1070	0.000	1	126.1070	0.000	1	120.2061	8.197	9	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:P-3:	C[6,6a]-3:C[6a]-3:O-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(PHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]P)(O)	P(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(PHH){1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]P)(O){2|H<1>,3|C<3>}	P(C[6a]C[6a]2)(H)2	119.3370	0.000	1	119.3370	0.000	1	119.3370	0.000	1	120.2061	8.197	9	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(PHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(PHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]P)(H){1|O<1>,2|C<3>}	P(C[6a]C[6a]2)(H)2	121.9190	0.000	1	121.9190	0.000	1	120.3203	9.468	3	120.2061	8.197	9	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(PHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(PHH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H){1|O<2>,2|C<3>}	P(C[6a]C[6a]2)(H)2	122.2690	0.000	1	122.2690	0.000	1	120.3203	9.468	3	120.2061	8.197	9	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)(H)2	116.7730	0.000	1	116.7730	0.000	1	120.3203	9.468	3	120.2061	8.197	9	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:2:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(POO)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(OC[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(POO){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(OC[6])(O)	117.1710	0.000	1	117.1710	0.000	1	117.1710	0.000	1	119.5173	21.731	3	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-2:Cl-1:	C[6a](C[6a]C[6a]H)2(PClP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(PC[5])(Cl)	C[6a](C[6a]C[6a]H)2(PClP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[5])(Cl)	120.6905	5.933	2	120.6905	35.204	2	120.6905	35.204	2	119.5173	21.731	3	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(POO)	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6,6a]C[6a])(OC[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(POO){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6,6a]C[6a])(OC[6a])2	124.5605	0.006	2	124.5605	0.000	2	124.5605	0.000	2	120.6560	9.594	17	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(POO)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(OC[6a])2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(POO){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(OC[6a])2	118.0500	0.000	1	118.0500	0.000	1	117.1975	1.454	2	120.6560	9.594	17	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(POO)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(OC)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(POO){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(OC)2	116.3450	0.000	1	116.3450	0.000	1	117.1975	1.454	2	120.6560	9.594	17	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:C-2:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CC)(CW)	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC)(CW)	120.3435	4.759	4	120.3435	22.645	4	120.3498	10.161	10	120.6560	9.594	17	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:C-2:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CMo)(CC)	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CMo)(CC)	120.8505	4.769	2	120.8505	22.748	2	120.3498	10.161	10	120.6560	9.594	17	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-2:C-2:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CW)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CW)2	120.1058	0.091	4	120.1058	0.008	4	120.3498	10.161	10	120.6560	9.594	17	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(POO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(OC[6a])2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(POO){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H){3|C<3>}	P(C[6a]C[6a]2)(OC[6a])2	122.8730	0.000	1	122.8730	0.000	1	121.3793	1.841	3	120.6560	9.594	17	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]H)2(POO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(OC)2	C[6a](C[6a]C[6a]H)2(POO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(OC)2	120.6325	0.579	2	120.6325	0.335	2	121.3793	1.841	3	120.6560	9.594	17	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]Cl)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])2(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]Cl){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])2(Cl)	122.8970	0.638	2	122.8970	0.407	2	122.8970	0.407	2	120.5509	13.417	24	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]H)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	119.6780	0.000	1	119.6780	0.000	1	121.3047	3.074	3	120.5509	13.417	24	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]H)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	122.1180	1.476	2	122.1180	2.180	2	121.3047	3.074	3	120.5509	13.417	24	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-3:Cl-1:	C[6a](C[6a]C[6a]F)2(PClN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)(NSiN)(Cl)	C[6a](C[6a]C[6a]F)2(PClN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)(NSiN)(Cl)	122.2785	10.254	2	122.2785	105.140	2	122.2785	105.140	2	120.5509	13.417	24	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:Cl-1:	C[6a](C[6a]C[6a]H)2(PClC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CPP)(Cl)	C[6a](C[6a]C[6a]H)2(PClC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|F<1>,1|H<1>}	P(C[6a]C[6a]2)(CPP)(Cl)	120.2150	4.954	2	120.2150	24.542	2	120.2150	24.542	2	120.5509	13.417	24	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]Cl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(Cl)	121.7205	0.394	2	121.7205	0.155	2	121.7205	0.155	2	120.5509	13.417	24	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(H)	118.6320	0.000	1	120.5035	7.005	2	120.5583	7.304	4	120.5509	13.417	24	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)2(H)	122.3750	0.000	1	120.5035	7.005	2	120.5583	7.304	4	120.5509	13.417	24	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(PC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.6130	3.859	2	120.6130	14.895	2	120.5583	7.304	4	120.5509	13.417	24	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(S)	113.1790	0.000	1	113.1790	0.000	1	113.1790	0.000	1	120.5509	13.417	24	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:Cl-1:	C[6a](C[6a]C[6a]H)2(PClN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(NCP)(Cl)	C[6a](C[6a]C[6a]H)2(PClN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(NCP)(Cl)	120.2278	4.223	4	120.2278	17.832	4	119.9591	10.214	8	120.5509	13.417	24	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:Cl-1:	C[6a](C[6a]C[6a]H)2(PClN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(NP[4]C)(Cl)	C[6a](C[6a]C[6a]H)2(PClN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(NP[4]C)(Cl)	119.6905	2.410	4	119.6905	5.808	4	119.9591	10.214	8	120.5509	13.417	24	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[5a]C)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[5a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(CC)	122.1230	0.000	1	122.1230	0.000	1	122.1230	0.000	1	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:P-2:	C[6a](C[6a]C[6a]H)2(PC[5]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	C[6a](C[6a]C[6a]H)2(PC[5]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	120.3360	1.208	2	120.3360	1.459	2	120.3360	1.459	2	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC)	120.5632	5.925	4	120.5632	35.103	4	120.4922	14.696	12	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CMo)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CMo)	120.3665	3.102	4	120.3665	9.620	4	120.4922	14.696	12	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CW)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CW)	120.5470	3.022	4	120.5470	9.132	4	120.4922	14.696	12	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(NS)	121.3230	1.978	2	121.3230	3.914	2	120.7280	4.595	26	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC)	120.6090	2.767	8	120.6090	7.658	8	120.7280	4.595	26	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[5])	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[5])	120.5715	2.881	4	120.5715	8.301	4	120.7280	4.595	26	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NP)	120.7603	1.692	12	120.7603	2.864	12	120.7280	4.595	26	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(PC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(OC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]O){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(OC[6a])	120.3810	3.047	4	120.3810	9.286	4	120.7033	6.119	27	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(PC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(OC[6])	C[6a](C[6a]C[6a]H)2(PC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(OC[6])	120.6730	1.835	4	120.6730	3.366	4	120.7033	6.119	27	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(PC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(OC[6a])	C[6a](C[6a]C[6a]H)2(PC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|Cl<1>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)2(OC[6a])	120.5909	3.001	7	120.5909	9.009	7	120.7033	6.119	27	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(PC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(OCa)	C[6a](C[6a]C[6a]H)2(PC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(OCa)	120.9352	0.941	4	120.9352	0.885	4	120.7033	6.119	27	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(PC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(OGe[6])	C[6a](C[6a]C[6a]H)2(PC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(OGe[6])	120.9768	3.096	4	120.9768	9.584	4	120.7033	6.119	27	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)2(PC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(OSi)	C[6a](C[6a]C[6a]H)2(PC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(OSi)	120.7470	3.398	4	120.7470	11.548	4	120.7033	6.119	27	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Se-2:	C[6a](C[6a]C[6a]H)2(PC[6a]Se)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(SeGe[6])	C[6a](C[6a]C[6a]H)2(PC[6a]Se){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(SeGe[6])	120.8972	3.838	4	120.8972	14.732	4	120.8972	14.732	4	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-2:	C[6a](C[6a]C[6a]H)2(PCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(NCC)(CW)	C[6a](C[6a]C[6a]H)2(PCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(NCC)(CW)	119.7465	3.440	2	119.7465	11.834	2	119.7465	11.834	2	120.6716	6.820	74	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[4,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[4,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2	122.4230	1.346	2	122.4230	1.813	2	122.4230	1.813	2	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[5,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6a](C[6a]C[5,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	121.3105	0.985	2	122.7063	1.259	10	122.7063	1.259	10	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[5,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[5,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	123.0553	0.885	8	122.7063	1.259	10	122.7063	1.259	10	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[5a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[5a,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	122.8730	0.602	2	122.8730	0.363	2	124.8927	2.124	7	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[5a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	125.7006	0.490	5	125.7006	0.240	5	124.8927	2.124	7	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6,6,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PC[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)2	122.6110	0.000	1	122.6110	0.000	1	122.6110	0.000	1	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]P)(H)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6,6a]P)(H){1|C<2>,1|C<3>,1|C<4>}	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	122.1070	0.000	1	122.1070	0.000	1	123.8459	7.870	13	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]C)(H)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2){1|C<4>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	123.6190	0.539	2	123.6190	0.290	2	123.8459	7.870	13	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	122.3755	4.719	4	124.0652	10.060	10	123.8459	7.870	13	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	124.8340	1.027	4	124.0652	10.060	10	123.8459	7.870	13	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	125.9070	0.038	2	124.0652	10.060	10	123.8459	7.870	13	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:N-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PNN)	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6,6a]C[6a])(NCC)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PNN){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6,6a]C[6a])(NCC)2	122.7945	0.504	2	122.7945	0.254	2	122.7945	0.254	2	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]P)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]P)(H){3|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	122.2760	0.226	2	122.2760	0.051	2	121.3941	6.069	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]P)(H)	P(C[6a]C[6a,6a]C[6a])3	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]P)(H){3|C<3>}	P(C[6a]C[6a,6a]C[6a])3	122.3960	0.831	3	122.3960	0.691	3	121.3941	6.069	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	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)(PC[6a]2)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	118.6690	0.000	2	119.9378	1.163	10	121.3941	6.069	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	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)(PC[6a]2)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	118.8100	0.000	1	119.9378	1.163	10	121.3941	6.069	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	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)(PC[6a]2)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|Sb<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	122.0800	0.000	1	119.9378	1.163	10	121.3941	6.069	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	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)(PC[6a]2)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|Si<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.1650	0.492	3	119.9378	1.163	10	121.3941	6.069	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	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)(PC[6a]2)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|Sn<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.2665	0.702	2	119.9378	1.163	10	121.3941	6.069	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	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)(PC[6a]2)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|Te<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.1220	0.000	1	119.9378	1.163	10	121.3941	6.069	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	121.8140	0.000	1	120.7389	7.429	9	121.3941	6.069	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	119.9770	0.000	1	120.7389	7.429	9	121.3941	6.069	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	122.7163	2.534	4	120.7389	7.429	9	121.3941	6.069	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	117.9570	0.491	2	120.7389	7.429	9	121.3941	6.069	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	118.0800	0.000	1	120.7389	7.429	9	121.3941	6.069	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	124.9990	0.000	1	124.9990	0.000	1	121.3941	6.069	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]P)(C[6a]N[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]N[6a]H)(H){1|C<3>,1|N<2>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	125.4227	0.782	3	125.4227	0.611	3	121.3941	6.069	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(PC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(PC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(H){1|H<1>,4|C<3>}	P(C[6a]C[6a]2)3	122.9960	0.212	3	122.9960	0.045	3	122.0493	11.123	9	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(H){2|H<1>,3|C<3>}	P(C[6a]C[6a]2)3	120.7653	4.369	3	120.7653	19.090	3	122.0493	11.123	9	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]P)(H){2|H<1>,3|C<3>}	P(C[6a]C[6a]2)3	117.3870	0.000	1	117.3870	0.000	1	122.0493	11.123	9	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(PC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(PC[6a]2){3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(H){1|H<1>,1|O<2>,3|C<3>}	P(C[6a]C[6a]2)3	124.8865	2.290	2	124.8865	5.246	2	122.0493	11.123	9	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(PC[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(Br)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(PC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(Br){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)3	118.4040	0.000	1	118.4040	0.000	1	119.5550	0.847	5	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	119.8427	0.760	4	119.8427	0.577	4	119.5550	0.847	5	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.6750	0.000	1	118.6750	0.000	1	121.6009	60.018	9	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(PC[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(PC[6a]2){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]P)(Cl){2|Cl<1>,1|C<3>}	P(C[6a]C[6a]2)3	121.6592	8.469	6	121.6592	71.721	6	121.6009	60.018	9	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3	122.8890	10.471	2	122.8890	109.638	2	121.6009	60.018	9	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(PC[6a]C)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]F)2(PC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)2(CCC)	122.1931	5.757	12	122.1931	33.141	12	122.1660	29.276	16	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]F)2(PC[6a]C)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]F)2(PC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)2(CCH)	122.0847	4.985	4	122.0847	24.855	4	122.1660	29.276	16	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(PC[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]F)(PC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|Br<1>,1|C<3>,1|F<1>}	P(C[6a]C[6a]2)3	126.0130	0.000	1	126.0130	0.000	1	123.0497	11.748	24	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(F){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.6265	0.796	4	118.6265	0.633	4	123.0497	11.748	24	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(PC[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(PC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|C<3>,1|F<1>,1|I<1>}	P(C[6a]C[6a]2)3	123.9350	0.000	1	123.9350	0.000	1	123.0497	11.748	24	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(PC[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]F)2(PC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|C<3>,1|F<1>,1|P<5>}	P(C[6a]C[6a]2)3	122.7410	5.127	2	122.5535	27.991	6	123.0497	11.748	24	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)2(PC[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]F)2(PC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)3	122.4597	6.153	4	122.5535	27.991	6	123.0497	11.748	24	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]F)(PC[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]F)(PC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|Ni<4>,1|C<3>,1|F<1>}	P(C[6a]C[6a]2)3	123.1425	1.088	2	123.1425	1.184	2	123.0497	11.748	24	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]F)(PC[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]F)(PC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|Pd<3>,1|C<3>,1|F<1>}	P(C[6a]C[6a]2)3	124.3210	0.000	1	124.9284	0.494	5	123.0497	11.748	24	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]F)(PC[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]F)(PC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|Pd<4>,1|C<3>,1|F<1>}	P(C[6a]C[6a]2)3	125.0802	0.710	4	124.9284	0.494	5	123.0497	11.748	24	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]F)(PC[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]F)(PC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|Pt<4>,1|C<3>,1|F<1>}	P(C[6a]C[6a]2)3	123.5230	0.772	2	123.5230	0.596	2	123.0497	11.748	24	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]F)(PC[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]F)(PC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|Sn<4>,1|C<3>,1|F<1>}	P(C[6a]C[6a]2)3	125.1480	1.410	3	125.1480	1.988	3	123.0497	11.748	24	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]F)2(PNN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)(NCC)2	C[6a](C[6a]C[6a]F)2(PNN){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)(NCC)2	122.8910	10.543	2	122.8910	111.154	2	122.8910	111.154	2	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	B[6a]-3:B[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PB[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(B[6a]N[6a]2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(PB[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(B[6a]N[6a]2)2(C[6a]C[6a]2)	120.9115	2.645	2	120.9115	6.998	2	120.9115	6.998	2	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PB[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(B[6a]N[6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PB[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(B[6a]N[6a]2)(C[6a]C[6a]2)2	120.9343	4.077	4	120.9343	16.622	4	120.9343	16.622	4	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	120.7355	4.510	4	120.7355	20.340	4	120.6372	14.518	96	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)2	120.6198	3.985	48	120.6198	15.881	48	120.6372	14.518	96	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5]P[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5]P[5])(C[6a]C[6a]2)2	120.7030	4.991	8	120.7030	24.908	8	120.6372	14.518	96	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5]S[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5]S[5])(C[6a]C[6a]2)2	120.5977	3.857	20	120.5977	14.875	20	120.6372	14.518	96	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]Ge[5,5,6]P[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]Ge[5,5,6]P[5])(C[6a]C[6a]2)2	120.7458	1.500	4	120.7458	2.250	4	120.6372	14.518	96	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]Ge[5,5]P[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]Ge[5,5]P[5])(C[6a]C[6a]2)2	120.7561	1.826	8	120.7561	3.335	8	120.6372	14.518	96	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]N[5,5]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]N[5,5]2)(C[6a]C[6a]2)2	120.4685	5.301	4	120.4685	28.102	4	120.6372	14.518	96	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[5a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5a]C[5a,6]S[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(PC[5a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5a]C[5a,6]S[5a])2(C[6a]C[6a]2)	120.5670	1.399	2	120.5670	1.956	2	120.5185	4.736	6	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[5a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(PC[5a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	120.4942	2.691	4	120.4942	7.239	4	120.5185	4.736	6	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[5a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5a]C[5a]2)(C[6a]C[6a]2)2	120.8849	3.315	8	120.8849	10.990	8	120.7177	13.693	132	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[5a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	120.7025	3.848	40	120.7025	14.807	40	120.7177	13.693	132	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[5a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2	120.6305	2.738	8	120.6305	7.499	8	120.7177	13.693	132	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[5a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	120.7096	3.656	36	120.7096	13.368	36	120.7177	13.693	132	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[5a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5a]N[5a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5a]N[5a]2)(C[6a]C[6a]2)2	120.7092	3.915	36	120.7092	15.328	36	120.7177	13.693	132	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[5a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2	120.8607	5.233	4	120.8607	27.384	4	120.7177	13.693	132	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6]C[6]N[6])(C[6a]C[6a]2)2	120.5995	4.256	20	120.5995	18.118	20	120.7069	17.551	52	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6]C[6]P[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6]C[6]P[6])(C[6a]C[6a]2)2	120.7474	3.929	16	120.7474	15.433	16	120.7069	17.551	52	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6]N[5,6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6]N[5,6]C[6])(C[6a]C[6a]2)2	120.8007	4.611	16	120.8007	21.264	16	120.7069	17.551	52	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCF)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCF)2	120.3565	1.593	4	120.3565	2.536	4	120.5056	12.604	30	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCH)2	120.4475	3.415	2	120.4475	11.660	2	120.5056	12.604	30	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCN)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCN)2	120.5050	5.568	2	120.5050	31.000	2	120.5056	12.604	30	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCP)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCP)2	120.7660	4.949	4	120.7660	24.496	4	120.5056	12.604	30	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CC[5a]O)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[5a]O)2	120.4865	3.375	2	120.4865	11.391	2	120.5056	12.604	30	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]O)2	120.5531	3.611	14	120.5531	13.041	14	120.5056	12.604	30	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CN[6]2)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CN[6]2)2	120.0280	7.744	2	120.0280	59.973	2	120.5056	12.604	30	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[5]N[5]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[5]2){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)(C[5]N[5]2)2	124.1630	0.000	1	124.1630	0.000	1	124.1630	0.000	1	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(PC[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(PC[6]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)(C[6]C[6]2)2	120.4815	3.572	2	120.4815	12.756	2	120.2450	8.472	4	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(PC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(PC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2)2	120.0085	3.526	2	120.0085	12.435	2	120.2450	8.472	4	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]H)2(PC[6a]B)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(BC[5]B)	C[6a](C[6a]C[6a]H)2(PC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(BC[5]B)	121.2195	3.483	4	121.2195	12.134	4	120.9662	15.230	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]H)2(PC[6a]B)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(BNN)	C[6a](C[6a]C[6a]H)2(PC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(BNN)	121.0190	4.683	4	121.0190	21.933	4	120.9662	15.230	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:B-3:	C[6a](C[6a]C[6a]H)2(PC[6a]B)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(BNP)	C[6a](C[6a]C[6a]H)2(PC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(BNP)	120.9051	4.031	20	120.9051	16.246	20	120.9662	15.230	28	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCC)	120.8715	4.048	12	120.8715	16.386	12	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CCH)	121.1347	4.011	4	120.6796	8.645	31	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCH)	120.6122	2.843	27	120.6796	8.645	31	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCN)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCN)	120.5787	4.362	8	120.5787	19.023	8	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCO)	120.8847	3.811	8	120.8847	14.524	8	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCW)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCW)	120.5712	4.087	8	120.5712	16.700	8	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC[5]H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[5]H)	121.0430	3.036	4	121.0430	9.217	4	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC[5]O)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[5]O)	120.6415	4.780	4	120.6415	22.852	4	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC[5]P)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[5]P)	120.5834	5.630	8	120.5834	31.696	8	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]C)	120.7432	3.455	28	120.7432	11.938	28	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]O)	120.6641	3.778	8	120.6641	14.276	8	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CNN)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CNN)	121.1003	4.685	4	120.8596	16.733	16	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CNN)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CNN)	120.7794	4.099	12	120.8596	16.733	16	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CNO)	120.6800	3.813	24	120.6800	14.535	24	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CSiP)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CSiP)	120.8265	5.578	4	120.8265	31.114	4	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CTiC)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CTiC)	120.7601	2.862	24	120.7601	8.191	24	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CZrC)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CZrC)	121.0620	3.536	4	121.0620	12.501	4	120.7393	12.834	191	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(C[5]C[5]2)	120.7887	3.453	16	120.7887	11.925	16	120.5848	17.555	44	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(C[5]N[5]2)	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(C[5]N[5]2)	120.4683	4.615	28	120.4683	21.294	28	120.5848	17.555	44	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)2(C[6]C[6]2)	124.3370	0.000	1	124.3370	0.000	1	121.7903	9.083	3	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(PC[6a]C[6]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)2(C[6]C[6]2)	120.5170	2.905	2	120.5170	8.438	2	121.7903	9.083	3	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]P)(H){1|O<2>,2|C<3>}	P(C[6a]C[6a]2)3	123.5277	1.146	3	123.5277	1.313	3	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)3	122.2522	0.562	12	122.2522	0.316	12	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H){3|C<3>}	P(C[6a]C[6a]2)3	122.3897	0.390	3	122.3897	0.152	3	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H){3|C<3>}	P(C[6a]C[6a]2)3	122.5733	0.244	4	122.5733	0.059	4	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H){3|C<3>}	P(C[6a]C[6a]2)3	122.9850	0.000	1	122.9850	0.000	1	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H){3|C<3>}	P(C[6a]C[6a]2)3	121.9450	1.217	3	122.2347	0.603	11	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H){3|C<3>}	P(C[6a]C[6a]2)3	122.3434	0.623	8	122.2347	0.603	11	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)3	123.6060	0.000	1	121.2488	12.860	4	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)3	120.4630	3.948	3	121.2488	12.860	4	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H){1|N<3>,2|C<3>}	P(C[6a]C[6a]2)3	121.2709	1.473	7	121.2709	2.170	7	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)3	123.5070	0.000	1	122.7630	0.469	5	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)3	123.0890	0.000	1	122.7630	0.469	5	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)3	123.1500	0.000	1	122.7630	0.469	5	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)3	122.0345	0.070	2	122.7630	0.469	5	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Al)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|Al<5>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3	122.0280	0.505	2	122.0280	0.255	2	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|As<3>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3	122.8177	1.172	3	122.8177	1.374	3	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|B<3>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3	124.2037	1.219	4	124.2037	1.486	4	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|Br<1>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3	123.3940	0.844	4	123.3940	0.712	4	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)3	122.0295	1.091	11	122.0295	1.191	11	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<2>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3	124.0853	0.303	4	121.9510	2.265	100	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)3	122.0562	1.252	66	121.9510	2.265	100	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)3	121.4348	1.810	30	121.9510	2.265	100	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2){1|Mn<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)3	122.1180	0.000	1	122.0813	0.172	3	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)3	122.0630	0.585	2	122.0813	0.172	3	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)3	120.6240	0.000	1	122.0227	1.481	3	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)3	122.7220	0.164	2	122.0227	1.481	3	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|Cl<1>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3	124.7300	0.000	1	124.7300	0.000	1	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|F<1>,1|H<1>}	P(C[6a]C[6a]2)3	125.0525	0.554	4	125.0525	0.307	4	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|Ge<4>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3	122.5527	1.361	6	122.5527	1.852	6	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)3	124.2670	0.000	1	124.2670	0.000	1	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)3	120.1420	0.000	1	123.3638	0.991	16	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<2>}	P(C[6a]C[6a]2)3	123.8640	0.384	6	123.3638	0.991	16	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)3	123.3883	0.530	9	123.3638	0.991	16	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)3	123.9660	0.000	1	123.9660	0.000	1	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)3	124.3570	0.867	20	124.3570	0.752	20	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|P<3>}	P(C[6a]C[6a]2)3	122.2840	1.024	21	122.0410	1.413	24	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|P<4>}	P(C[6a]C[6a]2)3	120.3397	0.891	3	122.0410	1.413	24	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|S<4>}	P(C[6a]C[6a]2)3	122.3790	0.000	1	122.3790	0.000	1	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|S<2>}	P(C[6a]C[6a]2)3	123.0881	0.985	21	123.0946	0.939	23	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|S<3>}	P(C[6a]C[6a]2)3	123.1630	1.113	2	123.0946	0.939	23	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	124.7410	0.466	3	120.8504	15.372	26	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)3	120.5318	4.293	10	120.8504	15.372	26	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	120.4656	3.751	12	120.8504	15.372	26	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	116.9830	0.000	1	120.8504	15.372	26	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	120.9003	3.999	48	120.9003	15.990	48	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	121.2061	3.899	22	121.2061	15.202	22	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)2	121.0558	4.375	4	121.0558	19.143	4	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	120.7245	3.372	47	120.7245	11.371	47	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.7897	3.553	92	120.7897	12.626	92	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(C[6a]N[6a]2)	120.6394	2.823	24	120.6394	7.970	24	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	116.2740	0.601	3	120.8086	14.039	1221	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	123.8930	0.000	1	120.8086	14.039	1221	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|B<3>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3	120.9080	4.357	2	120.8086	14.039	1221	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<2>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3	120.9809	4.001	10	120.8086	14.039	1221	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)3	120.9387	3.998	18	120.8086	14.039	1221	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|F<1>,1|H<1>}	P(C[6a]C[6a]2)3	121.2722	4.033	6	120.8086	14.039	1221	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)3	120.9969	4.476	10	120.8086	14.039	1221	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	120.8067	3.737	1150	120.8086	14.039	1221	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|Cl<1>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3	121.0737	3.837	6	120.8086	14.039	1221	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)3	120.7501	4.183	14	120.8086	14.039	1221	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	123.8000	0.000	1	120.8086	14.039	1221	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	120.5798	4.064	20	120.5798	16.512	20	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	120.7385	3.987	16	120.7385	15.895	16	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]2)	C[6a](C[6a]C[6a]P)(C[6a]C[6a]S)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(PC[6a]2){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]P)(C[6a]C[6a]S)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	117.3380	0.000	1	117.3380	0.000	1	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(PC[6a]2){1|Ge<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)3	124.3780	0.000	1	124.3780	0.000	1	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)3	123.3850	1.943	2	124.1580	2.184	4	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)3	124.4920	0.000	1	124.1580	2.184	4	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)3	125.3700	0.000	1	124.1580	2.184	4	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)3	123.0678	1.444	4	123.1776	1.624	5	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)3	123.6170	0.000	1	123.1776	1.624	5	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|Sb<3>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3	124.2790	0.000	1	124.2540	0.001	2	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Sb)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|Sb<4>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3	124.2290	0.000	1	124.2540	0.001	2	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|Si<4>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3	122.8723	0.841	7	122.8723	0.707	7	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|Sn<4>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)3	124.3131	0.719	8	124.3131	0.517	8	121.1075	12.375	1825	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Ge[6]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]Ge[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(Ge[6]N[6]2)	C[6a](C[6a]C[6a]H)2(PC[6a]Ge[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(Ge[6]N[6]2)	121.5125	4.044	4	121.5125	16.357	4	121.5125	16.357	4	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NBN)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NBN)	120.6055	3.746	8	120.6055	14.030	8	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NB[5]N)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NB[5]N)	120.7641	3.504	8	120.7641	12.277	8	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NCC)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NCC)	120.6759	4.123	12	120.6759	17.000	12	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NCH)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NCH)	120.7487	3.865	12	120.7487	14.934	12	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NCN)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NCN)	121.1299	4.156	8	121.1299	17.269	8	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NCP)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NCP)	120.7659	3.962	60	120.7659	15.694	60	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[3]P)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[3]P)	120.6731	3.902	8	120.6731	15.225	8	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[4]P)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[4]P)	120.7016	3.961	8	120.7016	15.692	8	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[5a]H)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[5a]H)	120.9149	2.626	8	120.9149	6.894	8	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[6,6]Mg)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6,6]Mg)	120.9466	1.541	8	120.9466	2.376	8	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[6]C)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6]C)	120.8361	4.893	8	120.8361	23.938	8	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[6]Ca)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6]Ca)	120.6680	3.410	8	120.6680	11.631	8	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[6]H)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6]H)	120.5392	3.915	8	120.5392	15.328	8	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[6a]Al)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Al)	120.7230	4.289	4	120.7230	18.397	4	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[6a]B)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]B)	120.7897	4.627	4	120.7897	21.413	4	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]C)	120.7860	4.847	8	120.7860	23.489	8	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[6a]Ge)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Ge)	120.8598	3.846	36	120.8598	14.790	36	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]H)	120.7541	3.541	20	120.7541	12.542	20	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[6a]Li)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Li)	121.2452	0.934	4	121.2452	0.872	4	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]N)	120.6755	4.354	8	120.6755	18.957	8	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[6a]P)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]P)	120.7152	3.646	32	120.7152	13.294	32	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[6a]Si)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Si)	120.7317	4.659	12	120.7317	21.703	12	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[6a]Si[4])	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Si[4])	120.8144	4.571	8	120.8144	20.898	8	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NC[6a]Si[5])	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NC[6a]Si[5])	120.5632	2.831	4	120.5632	8.017	4	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NHN)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NHN)	120.8457	3.822	12	120.8457	14.605	12	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NHP)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NHP)	120.7301	3.196	16	120.7301	10.216	16	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NLiP)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NLiP)	120.7081	2.829	8	120.7081	8.002	8	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NNP)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NNP)	120.6471	4.015	40	120.6471	16.118	40	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(NTiN)	C[6a](C[6a]C[6a]H)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NTiN)	120.5520	4.343	4	120.5520	18.862	4	120.7554	13.776	384	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(N[5]C[5]2)	C[6a](C[6a]C[6a]H)2(PC[6a]N[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(N[5]C[5]2)	120.8621	4.494	12	120.8621	20.195	12	120.8621	20.195	12	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[5a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(N[5a]C[5a]2)	C[6a](C[6a]C[6a]H)2(PC[6a]N[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(N[5a]C[5a]2)	120.7318	5.936	4	120.7318	35.235	4	120.7318	35.235	4	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(N[6]C[6]2)	C[6a](C[6a]C[6a]H)2(PC[6a]N[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(N[6]C[6]2)	121.5778	5.102	4	121.5778	26.026	4	121.5778	26.026	4	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2)	121.8415	1.261	4	121.8415	1.590	4	121.2047	16.050	57	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)2(PC[6a]2)	124.9280	1.441	2	124.9280	2.077	2	121.2047	16.050	57	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|P<4>}	P(C[6a]C[6a]2)2(PC[6a]2)	123.9850	0.000	1	123.9850	0.000	1	121.2047	16.050	57	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PCC)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PCC)	120.7105	5.788	4	120.7105	33.502	4	121.2047	16.050	57	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PCN)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PCN)	120.8315	5.262	4	120.8315	27.689	4	121.2047	16.050	57	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PC[6a]2)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2)	121.1068	5.021	4	121.1235	15.401	22	121.2047	16.050	57	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PC[6a]2)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)2(PC[6a]2)	121.3522	4.946	4	121.1235	15.401	22	121.2047	16.050	57	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PC[6a]2)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)2(PC[6a]2)	121.1625	4.326	4	121.1235	15.401	22	121.2047	16.050	57	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PC[6a]2)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2)	121.0232	3.620	10	121.1235	15.401	22	121.2047	16.050	57	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PC[6a]N)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]N)	120.7682	5.001	4	120.7682	25.014	4	121.2047	16.050	57	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PNN)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PNN)	120.9387	4.340	4	120.9387	18.835	4	121.2047	16.050	57	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PPP)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PPP)	120.8024	4.815	8	120.8024	23.187	8	121.2047	16.050	57	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PPW)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PPW)	120.8325	4.059	4	120.8325	16.475	4	121.2047	16.050	57	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P[6]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]P[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(P[6]C[5,6]2)	C[6a](C[6a]C[6a]H)2(PC[6a]P[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(P[6]C[5,6]2)	120.3846	3.652	8	120.3846	13.338	8	120.3846	13.338	8	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Si-3:	C[6a](C[6a]C[6a]H)2(PC[6a]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(SiC[5]N)	C[6a](C[6a]C[6a]H)2(PC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(SiC[5]N)	121.1790	4.005	4	121.1790	16.044	4	121.1790	16.044	4	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Si[4]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]Si[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(Si[4]N[4]2)	C[6a](C[6a]C[6a]H)2(PC[6a]Si[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(Si[4]N[4]2)	121.0365	4.307	4	121.0365	18.555	4	121.0365	18.555	4	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)2(PNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(NCH)(NCP)	C[6a](C[6a]C[6a]H)2(PNN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(NCH)(NCP)	120.9698	2.317	6	120.9698	5.367	6	120.7356	4.750	32	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)2(PNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(NC[6]C)(NCP)	C[6a](C[6a]C[6a]H)2(PNN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(NC[6]C)(NCP)	120.5606	0.339	8	120.5606	0.115	8	120.7356	4.750	32	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)2(PNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(NC[6]P)(NCC)	C[6a](C[6a]C[6a]H)2(PNN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(NC[6]P)(NCC)	120.6419	2.005	8	120.6419	4.018	8	120.7356	4.750	32	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)2(PNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(NC[6a]C)(NCP)	C[6a](C[6a]C[6a]H)2(PNN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(NC[6a]C)(NCP)	120.5225	0.900	4	120.5225	0.810	4	120.7356	4.750	32	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)2(PNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(NC[6a]H)(NCP)	C[6a](C[6a]C[6a]H)2(PNN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(NC[6a]H)(NCP)	120.8023	4.183	4	120.8023	17.501	4	120.7356	4.750	32	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]H)2(PNN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(NLiC)(NCP)	C[6a](C[6a]C[6a]H)2(PNN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(NLiC)(NCP)	121.4010	5.902	2	121.4010	34.828	2	120.7356	4.750	32	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:P-3:	C[6a](C[6a]C[6a]H)2(PNP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(NCC)(PCC)	C[6a](C[6a]C[6a]H)2(PNP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(NCC)(PCC)	120.8755	3.331	2	120.8755	11.097	2	120.8755	11.097	2	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6]-3:N-3:	C[6a](C[6a]C[6a]H)2(PN[6]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(N[6]C[6]2)(NC[6]2)	C[6a](C[6a]C[6a]H)2(PN[6]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(N[6]C[6]2)(NC[6]2)	121.0885	0.897	2	121.0885	0.805	2	121.0885	0.805	2	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:N-3:	C[6a](C[6a]C[6a]H)2(PNP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(PC[6a]2)(NCC)	C[6a](C[6a]C[6a]H)2(PNP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]2)(NCC)	120.7250	6.942	2	120.7250	48.197	2	120.7250	48.197	2	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(N[5]C[5,6a]P[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]N[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(N[5]C[5,6a]P[5])(C[6a]C[6a]2)2	120.5600	5.439	4	120.5600	29.580	4	120.5600	29.580	4	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)2(PN[5]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(N[5]C[5]N[5])(C[6a]C[6a]2)(NCP)	C[6a](C[6a]C[6a]H)2(PN[5]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(N[5]C[5]N[5])(C[6a]C[6a]2)(NCP)	120.1983	1.160	6	120.1983	1.346	6	120.1983	1.346	6	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N[5a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]N[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)2	120.8860	3.755	11	120.8860	14.097	11	120.8860	14.097	11	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PN[5a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(N[5a]C[5a,6a]2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(PN[5a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(N[5a]C[5a,6a]2)2(C[6a]C[6a]2)	119.7030	1.140	2	119.7030	1.299	2	119.8453	1.155	6	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	N[5a]-3:N[5a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PN[5a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(N[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(PN[5a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(N[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)	119.9165	1.213	4	119.9165	1.471	4	119.8453	1.155	6	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(N[6]B[5,6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]N[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(N[6]B[5,6]N[6])(C[6a]C[6a]2)2	120.4835	4.381	4	120.4835	19.191	4	120.6262	21.057	8	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]N[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(N[6]B[6,6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]N[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(N[6]B[6,6]C[6])(C[6a]C[6a]2)2	120.7690	5.467	4	120.7690	29.887	4	120.6262	21.057	8	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(PC[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(I)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]I)(PC[6a]2){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(I){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)3	119.7400	0.000	1	119.7400	0.000	1	119.7400	0.000	1	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H)	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(PC[6a]2){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2	127.2850	0.000	1	127.2850	0.000	1	127.2850	0.000	1	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	N[5a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]N[5a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	P(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	128.5637	1.458	4	128.5637	2.126	4	128.5637	2.126	4	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	P-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[6,6]-3:C[6a]-3:C[6a]-3:	C[6a](PP[6,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(P[6,6]C[3x6]2)(C[6a]C[6a]2)2	C[6a](PP[6,6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(P[6,6]C[3x6]2)(C[6a]C[6a]2)2	120.5717	5.364	4	120.5717	28.773	4	120.6389	15.557	8	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:3:	P-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[6,6]-3:C[6a]-3:C[6a]-3:	C[6a](PP[6,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(P[6,6]C[6,6]2)(C[6a]C[6a]2)2	C[6a](PP[6,6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(P[6,6]C[6,6]2)(C[6a]C[6a]2)2	120.7060	2.741	4	120.7060	7.515	4	120.6389	15.557	8	121.0400	13.096	3114	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	119.3890	0.000	1	119.3890	0.000	1	118.0310	2.356	7	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])2(CCCH)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])2(CCCH)	118.1440	0.110	2	117.8047	2.397	6	118.0310	2.356	7	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])2(CCCH)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C){1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])2(CCCH)	117.6350	1.969	4	117.8047	2.397	6	118.0310	2.356	7	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(PC[6a]C)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)2(CCCH)	C[6a](C[6a]C[6a]F)2(PC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)2(CCCH)	122.4064	5.646	20	122.4064	31.873	20	122.2968	30.287	32	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]F)2(PC[6a]C)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)2(CHHP)	C[6a](C[6a]C[6a]F)2(PC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|C<3>,2|F<1>}	P(C[6a]C[6a]2)2(CHHP)	122.1142	5.499	12	122.1142	30.242	12	122.2968	30.287	32	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:B-3:C-4:	C[6a](C[6a]C[6a]H)2(PBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(BC[6a]P)(CC3)	C[6a](C[6a]C[6a]H)2(PBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(BC[6a]P)(CC3)	120.6990	2.926	4	120.6990	8.564	4	120.6990	8.564	4	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CCHH)	122.4810	0.472	4	122.4507	1.024	8	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)2(CCHH)	122.4205	1.471	4	122.4507	1.024	8	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCHP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CCHP)	123.1178	1.750	4	123.1178	3.063	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CHHP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CHHP)	122.2812	1.793	4	122.2812	3.214	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CSi2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CSi2H)	122.0825	2.010	4	122.0825	4.041	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CCHH)	122.4880	0.000	1	122.4880	0.000	1	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CHHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)2(CHHP)	122.6005	2.872	4	122.6005	8.247	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)2(CC3)	125.7315	1.032	2	125.7315	1.064	2	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)2(CCHH)	122.5750	0.000	1	122.5750	0.000	1	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC3)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)2(CC3)	121.2742	5.665	8	121.1161	25.379	16	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC3)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)2(CC3)	120.8658	5.315	4	121.1161	25.379	16	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC3)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC3)	121.0503	4.859	4	121.1161	25.379	16	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC[5]CH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[5]CH)	120.7630	4.436	4	120.7630	19.676	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	121.2980	5.718	2	121.2980	32.692	2	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CAlNN)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CAlNN)	120.4313	5.344	4	120.4313	28.560	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CBHH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CBHH)	120.8557	2.711	52	120.8557	7.349	52	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CB[6]HH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CB[6]HH)	121.0505	3.613	12	121.0505	13.053	12	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC3)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)2(CC3)	122.1833	7.737	8	121.8683	50.141	12	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC3)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC3)	121.2385	6.586	4	121.8683	50.141	12	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCCF)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCCF)	120.5803	7.154	8	120.5803	51.173	8	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCCH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCCH)	121.5040	3.976	4	121.5040	15.810	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCFF)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCFF)	120.8118	5.753	4	120.8118	33.099	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CCHH)	121.0411	3.637	12	121.0079	13.262	234	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCHH)	121.0061	3.650	222	121.0079	13.262	234	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCHP)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCHP)	120.8491	4.732	56	120.8491	22.387	56	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC[5]CH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[5]CH)	120.8786	4.450	16	120.8786	19.807	16	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC[5]HH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[5]HH)	120.8739	3.237	16	120.8739	10.475	16	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC[6]CH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6]CH)	120.9369	4.642	12	120.9369	21.546	12	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC[6]HH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6]HH)	120.9066	3.866	16	120.9066	14.943	16	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC[6]HP)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6]HP)	120.8598	6.068	4	120.8598	36.817	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]CH)	120.8965	4.222	28	120.8965	17.821	28	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]HH)	120.9423	3.493	51	120.9423	12.199	51	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC[6a]MnC)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]MnC)	120.7193	4.518	4	120.7193	20.408	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CC[6a]OP)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC[6a]OP)	120.8936	5.169	8	120.8936	26.722	8	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CCo2C)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCo2C)	121.0187	5.709	4	121.0187	32.591	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CErNS)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CErNS)	120.5335	5.264	4	120.5335	27.707	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(CH3)	121.1005	3.611	2	121.1713	5.341	8	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)2(CH3)	121.1948	2.206	6	121.1713	5.341	8	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CHHN)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CHHN)	120.7893	3.899	28	120.7893	15.202	28	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CHHO)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CHHO)	120.8674	3.443	12	120.8674	11.853	12	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CHHP)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CHHP)	120.7208	3.979	95	120.7208	15.836	95	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CHHS)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CHHS)	120.8877	4.172	4	120.8877	17.405	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CLiNN)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CLiNN)	121.1362	4.336	8	121.1362	18.797	8	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CMgNN)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CMgNN)	120.7828	3.951	4	120.7828	15.611	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CNOY)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CNOY)	121.3230	4.249	4	121.3230	18.055	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CN[5]HH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CN[5]HH)	120.8930	3.846	32	120.8930	14.791	32	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CN[5a]3)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CN[5a]3)	120.7223	5.781	12	120.7223	33.414	12	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CN[5a]HH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CN[5a]HH)	120.9775	4.128	8	120.9775	17.040	8	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CN[6]HH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CN[6]HH)	121.0096	3.860	8	121.0096	14.896	8	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CP[5]HH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CP[5]HH)	121.0679	3.406	8	121.0679	11.598	8	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CPdSiS)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CPdSiS)	121.0847	5.210	4	121.0847	27.144	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CSiHH)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CSiHH)	120.8341	3.861	20	120.8341	14.907	20	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CSn2P)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CSn2P)	121.1545	4.243	4	121.1545	18.000	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(CTiCC)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CTiCC)	121.0685	3.078	4	121.0685	9.476	4	120.9839	15.249	862	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[4]-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(C[4]C[4]2H)	C[6a](C[6a]C[6a]H)2(PC[6a]C[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(C[4]C[4]2H)	121.0254	4.220	8	121.0254	17.809	8	121.0254	17.809	8	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)2(PC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)	121.0938	4.275	12	121.0938	18.277	12	120.9903	21.836	16	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]H)2(PC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(C[6]N[6]2H)	C[6a](C[6a]C[6a]H)2(PC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(C[6]N[6]2H)	120.6797	6.480	4	120.6797	41.991	4	120.9903	21.836	16	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a](C[6a]C[6a]H)2(PC[6a]Ge)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(GeClNN)	C[6a](C[6a]C[6a]H)2(PC[6a]Ge){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(GeClNN)	120.7122	4.101	4	120.7122	16.819	4	120.7122	16.819	4	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PC[6a]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2O)	122.9600	1.597	2	122.9600	2.549	2	120.6081	22.621	94	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PC3)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC3)	120.6027	5.022	32	120.6027	25.223	32	120.6081	22.621	94	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PCCN)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PCCN)	120.6035	5.153	4	120.6035	26.556	4	120.6081	22.621	94	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PC[6]3)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6]3)	120.4507	4.698	4	120.4507	22.068	4	120.6081	22.621	94	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PC[6a]2C)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2C)	120.4499	4.875	16	120.4499	23.763	16	120.6081	22.621	94	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PC[6a]2N)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2N)	120.5720	4.739	16	120.5720	22.458	16	120.6081	22.621	94	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PC[6a]2S)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2S)	120.4968	5.192	12	120.4968	26.956	12	120.6081	22.621	94	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PC[6a]2Se)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2Se)	120.5750	5.915	4	120.5750	34.992	4	120.6081	22.621	94	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(PMo2H)	C[6a](C[6a]C[6a]H)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PMo2H)	120.7807	4.718	4	120.7807	22.256	4	120.6081	22.621	94	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(PC[6a]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(SiC3)	C[6a](C[6a]C[6a]H)2(PC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(SiC3)	121.0874	3.810	20	121.0874	14.517	20	121.0331	12.962	28	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(PC[6a]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(SiC[5]Cl2)	C[6a](C[6a]C[6a]H)2(PC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(SiC[5]Cl2)	120.7782	3.984	4	120.7782	15.869	4	121.0331	12.962	28	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Si-4:	C[6a](C[6a]C[6a]H)2(PC[6a]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)2(SiC[5]NO)	C[6a](C[6a]C[6a]H)2(PC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(SiC[5]NO)	121.0165	2.957	4	121.0165	8.742	4	121.0331	12.962	28	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Ge[4]-3:C-4:	C[6a](C[6a]C[6a]H)2(PGe[4]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(Ge[4]P[4]2)(CSi2H)	C[6a](C[6a]C[6a]H)2(PGe[4]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(Ge[4]P[4]2)(CSi2H)	120.9219	4.633	8	120.9219	21.464	8	120.9219	21.464	8	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)2(PCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(NLiC)(CC3)	C[6a](C[6a]C[6a]H)2(PCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(NLiC)(CC3)	120.6672	1.082	4	120.6672	1.171	4	120.9034	9.225	8	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N-3:C-4:	C[6a](C[6a]C[6a]H)2(PCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(NP[5]C)(CC3)	C[6a](C[6a]C[6a]H)2(PCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(NP[5]C)(CC3)	121.1395	4.495	4	121.1395	20.205	4	120.9034	9.225	8	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:As-4:	C[6a](C[6a]C[6a]H)2(PAsP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(PC[6a]As)(AsC3)	C[6a](C[6a]C[6a]H)2(PAsP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]As)(AsC3)	120.4317	6.040	6	120.4317	36.478	6	120.4317	36.478	6	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-3:P-4:	C[6a](C[6a]C[6a]H)2(PPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(PC[6a]P)(PC3)	C[6a](C[6a]C[6a]H)2(PPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]P)(PC3)	120.4625	8.057	2	120.4625	64.923	2	120.4625	64.923	2	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[5]-3:C-4:	C[6a](C[6a]C[6a]H)2(PP[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(P[5]P[5]2)(CCHH)	C[6a](C[6a]C[6a]H)2(PP[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(P[5]P[5]2)(CCHH)	120.8270	5.794	2	120.8270	33.571	2	120.8270	33.571	2	120.9652	16.382	1081	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:1:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[5]H)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[5]H){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(H)	118.5200	0.000	1	118.5200	0.000	1	118.5200	0.000	1	120.6984	7.424	15	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:Cl-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PClC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CC3)(Cl)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PClC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)(CC3)(Cl)	122.8610	0.173	2	122.8610	0.030	2	121.2158	8.068	6	120.6984	7.424	15	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:Cl-1:	C[6a](C[6a]C[6a]H)2(PClC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CSi2H)(Cl)	C[6a](C[6a]C[6a]H)2(PClC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CSi2H)(Cl)	120.6500	5.088	2	120.6500	25.891	2	121.2158	8.068	6	120.6984	7.424	15	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:Cl-1:	C[6a](C[6a]C[6a]H)2(PClC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CTiCC)(Cl)	C[6a](C[6a]C[6a]H)2(PClC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CTiCC)(Cl)	120.1365	2.457	2	120.1365	6.038	2	121.2158	8.068	6	120.6984	7.424	15	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]H)2(PCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CC[6a]HH)(H)	C[6a](C[6a]C[6a]H)2(PCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]HH)(H)	120.7135	0.386	4	120.7135	0.149	4	120.7135	0.149	4	120.6984	7.424	15	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:Cl-1:	C[6a](C[6a]C[6a]H)2(PClP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(PC[6a]3)(Cl)	C[6a](C[6a]C[6a]H)2(PClP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]3)(Cl)	120.0550	7.166	2	120.0550	51.349	2	120.0550	51.349	2	120.6984	7.424	15	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:H-1:	C[6a](C[6a]C[6a]H)2(PSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(SiFeCC)(H)	C[6a](C[6a]C[6a]H)2(PSiH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(SiFeCC)(H)	120.8485	2.138	2	120.8485	4.569	2	120.8485	4.569	2	120.6984	7.424	15	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:Ge-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CSi2H)(GeCl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)(CSi2H)(GeCl)	125.8390	0.000	1	125.8390	0.000	1	121.6320	23.326	3	121.3962	16.982	5	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:Ge-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CSi2H)(GeP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)(CSi2H)(GeP)	119.5285	4.484	2	119.5285	20.104	2	121.6320	23.326	3	121.3962	16.982	5	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[3]-4:N-2:	C[6a](C[6a]C[6a]H)2(PC[3]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[3]C[3]2H)(NP)	C[6a](C[6a]C[6a]H)2(PC[3]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[3]C[3]2H)(NP)	121.0425	4.567	2	121.0425	20.859	2	121.0425	20.859	2	121.3962	16.982	5	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:3:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C[5])	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(C[6a]C[6a]2)	122.6395	0.344	2	122.6395	0.119	2	122.6395	0.119	2	120.9825	19.813	32	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:As-4:P-3:	C[6a](C[6a]C[6a]H)2(PAsP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(AsC[6a]3)(PC[6a]As)	C[6a](C[6a]C[6a]H)2(PAsP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(AsC[6a]3)(PC[6a]As)	120.1365	5.005	4	120.1365	25.055	4	120.1365	25.055	4	120.9825	19.813	32	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:B-3:	C[6a](C[6a]C[6a]H)2(PBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CC3)(BNN)	C[6a](C[6a]C[6a]H)2(PBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC3)(BNN)	121.4627	8.082	4	121.4627	65.311	4	121.4627	65.311	4	120.9825	19.813	32	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CC3)(COO)	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC3)(COO)	120.9025	5.323	4	120.9025	28.339	4	120.9103	19.456	8	120.9825	19.813	32	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-3:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCHH)(CNN)	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCHH)(CNN)	120.9180	4.130	4	120.9180	17.058	4	120.9103	19.456	8	120.9825	19.813	32	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:P-3:	C[6a](C[6a]C[6a]H)2(PCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CC3)(PCN)	C[6a](C[6a]C[6a]H)2(PCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC3)(PCN)	121.0465	5.361	2	121.0465	28.736	2	121.0355	19.077	4	120.9825	19.813	32	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:P-3:	C[6a](C[6a]C[6a]H)2(PCP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CC3)(PNN)	C[6a](C[6a]C[6a]H)2(PCP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC3)(PNN)	121.0245	5.338	2	121.0245	28.494	2	121.0355	19.077	4	120.9825	19.813	32	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)(C[6a]C[6a]2)	121.0520	2.261	4	121.0520	5.113	4	121.0520	5.113	4	120.9825	19.813	32	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:N-3:	C[6a](C[6a]C[6a]H)2(PNP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(PC[6a]CN)(NC[6a]Al)	C[6a](C[6a]C[6a]H)2(PNP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]CN)(NC[6a]Al)	120.7445	5.170	2	120.7445	26.725	2	121.0173	18.634	4	120.9825	19.813	32	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:N-3:	C[6a](C[6a]C[6a]H)2(PNP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(PC[6a]CN)(NC[6a]Zn)	C[6a](C[6a]C[6a]H)2(PNP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]CN)(NC[6a]Zn)	121.2900	5.374	2	121.2900	28.880	2	121.0173	18.634	4	120.9825	19.813	32	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-3:	C[6a](C[6a]C[6a]H)2(PPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(PC[6a]3)(PC[6a]P)	C[6a](C[6a]C[6a]H)2(PPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]3)(PC[6a]P)	120.0310	8.195	2	120.0310	67.164	2	120.0310	67.164	2	120.9825	19.813	32	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[5a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[5a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[5a,6a]C[6a])(CCCH)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PCC){1|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[5a,6a]C[6a])(CCCH)2	116.6875	1.126	2	116.6875	1.269	2	116.6875	1.269	2	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6,6a]C[6a])(CCCH)2	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(PCC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6,6a]C[6a])(CCCH)2	121.2960	0.000	1	121.2960	0.000	1	124.0562	2.637	6	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]C)(H)	P(C[6a]C[6,6a]C[6a])(CC3)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC){1|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6,6a]C[6a])(CC3)2	125.2940	0.051	2	125.2940	0.003	2	124.0562	2.637	6	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]C)(H)	P(C[6a]C[6,6a]C[6a])(CCCH)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC){1|C<3>,3|C<4>}	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6,6a]C[6a])(CCCH)2	124.2155	1.565	2	124.2155	2.449	2	124.0562	2.637	6	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6,6a]C[6a])(CCCH)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6,6a]C[6a])(CCCH)2	124.0220	0.000	1	124.0220	0.000	1	124.0562	2.637	6	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(PCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)(H)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(PCC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)(H){1|H<1>,4|C<3>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	122.5800	0.000	1	122.5800	0.000	1	122.5800	0.000	1	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|As<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	124.5100	4.056	2	121.2207	13.438	18	121.3996	9.852	30	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|As<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	127.4780	0.000	1	121.2207	13.438	18	121.3996	9.852	30	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|As<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	118.9835	0.949	6	121.2207	13.438	18	121.3996	9.852	30	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	120.1190	0.000	1	121.2207	13.438	18	121.3996	9.852	30	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	121.7560	4.266	7	121.2207	13.438	18	121.3996	9.852	30	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|Sn<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	119.1620	0.000	1	121.2207	13.438	18	121.3996	9.852	30	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(CF3)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(CF3)2	120.1180	0.000	1	120.1180	0.000	1	121.3996	9.852	30	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|B<3>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	121.5100	0.000	1	122.6081	2.636	9	121.3996	9.852	30	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|H<1>,1|P<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	124.4715	2.724	2	122.6081	2.636	9	121.3996	9.852	30	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	121.7445	0.838	4	122.6081	2.636	9	121.3996	9.852	30	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(CCCH)2	123.0210	0.293	2	122.6081	2.636	9	121.3996	9.852	30	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]C[6a,6a]C[6a])(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|H<1>,1|P<3>,3|C<3>}	C[6a](C[6a]C[6a,6a]P)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a,6a]C[6a])(CH3)2	118.2130	0.717	2	118.2130	0.514	2	121.3996	9.852	30	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br)	P(C[6a]C[6a]2)(CC3)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(Br){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC3)2	120.4760	0.000	1	120.4760	0.000	1	120.4760	0.000	1	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(PCC)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(PCC){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(F){1|C<3>,1|O<2>,1|P<3>}	P(C[6a]C[6a]2)(CCCH)2	127.5470	0.000	1	127.5470	0.000	1	123.8218	25.495	5	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)2(PCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F)	P(C[6a]C[6a]2)(CC3)2	C[6a](C[6a]C[6a]F)2(PCC){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(F){1|B<4>,1|C<3>,1|F<1>}	P(C[6a]C[6a]2)(CC3)2	122.8905	5.311	4	122.8905	28.212	4	123.8218	25.495	5	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:B-4:	C[6a](C[6a]C[6a]H)2(PBC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CSi2H)(BH3)	C[6a](C[6a]C[6a]H)2(PBC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CSi2H)(BH3)	121.5040	0.921	4	121.5040	0.848	4	121.5040	0.848	4	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(H){3|C<3>}	P(C[6a]C[6a]2)(CCCH)2	120.5500	0.000	1	120.5500	0.000	1	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CC3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)(CC3)2	123.9590	0.000	1	123.9590	0.000	1	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)(CCCH)2	123.7310	0.199	2	123.7310	0.040	2	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)(CH3)2	121.8265	0.317	2	121.8265	0.101	2	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|B<3>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)(CCCH)2	118.6300	0.000	1	120.2470	5.337	3	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|B<4>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)(CCCH)2	119.2180	0.000	1	120.2470	5.337	3	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|B<5>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)(CCCH)2	122.8930	0.000	1	120.2470	5.337	3	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CC3)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|Br<1>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)(CC3)2	123.8990	0.000	1	123.8990	0.000	1	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)(CCCH)2	122.1806	0.887	13	122.1806	0.787	13	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)(CCCH)2	120.6320	2.770	2	120.6320	7.675	2	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)(CCCH)2	122.4108	1.775	6	122.4108	3.149	6	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)(CCCH)2	122.3470	1.465	2	122.3470	2.147	2	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<2>}	P(C[6a]C[6a]2)(CCCH)2	123.6400	0.057	2	123.6400	0.003	2	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CC3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)(CC3)2	123.6090	0.530	2	123.6090	0.281	2	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|P<4>}	P(C[6a]C[6a]2)(CH3)2	121.4947	0.914	3	121.4947	0.836	3	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)2(PCC){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]B)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	117.4775	0.603	2	117.4775	0.364	2	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)2(PCC){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	125.4730	0.580	2	123.7600	11.848	5	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|P<3>}	P(C[6a]C[6a]2)(CCCH)2	122.6180	4.317	3	123.7600	11.848	5	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCHH)(CHHN)	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCHH)(CHHN)	121.3462	4.480	20	121.3462	20.070	20	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCHH)(CHHP)	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCHH)(CHHP)	120.9468	5.276	6	120.9468	27.833	6	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CC[5]HH)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[5]HH)2	120.4440	6.739	2	120.4440	45.410	2	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	120.9355	6.486	2	120.9355	42.072	2	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CC[6a]HH)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC[6a]HH)2	120.8762	4.632	4	120.8762	21.457	4	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CH3)2	120.3508	1.713	4	120.3508	2.935	4	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CHHN)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CHHN)2	121.7710	5.982	4	121.7710	35.784	4	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CHHP)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CHHP)2	120.5734	3.591	8	120.5734	12.894	8	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PCC){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)(CCCH)2	122.8440	0.000	1	122.8440	0.000	1	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|B<3>,1|C<3>,1|N<3>}	P(C[6a]C[6a]2)(CCCH)2	122.4210	0.000	1	122.4210	0.000	1	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|Si<4>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)(CCCH)2	123.0727	1.029	3	123.0727	1.059	3	121.6490	11.098	102	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:	C[6a](C[6a]C[6a]H)2(PC[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[5]C[5]2H)2	C[6a](C[6a]C[6a]H)2(PC[5]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[5]C[5]2H)2	120.9825	7.516	2	120.9825	56.488	2	120.9825	56.488	2	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(PC[6]2)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(PC[6]2){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|O<2>,2|C<3>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	123.7100	0.000	1	123.7100	0.000	1	122.6701	3.889	14	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	123.2296	0.675	5	123.2296	0.456	5	122.6701	3.889	14	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2)	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]O)(C[6a]C[6a]P)(H){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	121.0315	0.333	2	121.0315	0.111	2	122.6701	3.889	14	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	121.2650	0.000	1	121.2650	0.000	1	122.6701	3.889	14	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	123.6610	0.000	1	123.6610	0.000	1	122.6701	3.889	14	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)2(PC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]H)2(PC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|P<3>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	121.3530	5.575	2	121.3530	31.079	2	122.6701	3.889	14	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|N<3>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	123.8670	0.000	1	123.8670	0.000	1	122.6701	3.889	14	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|Si<4>,1|C<3>,1|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	123.9620	0.000	1	123.9620	0.000	1	122.6701	3.889	14	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P-4:P-4:	C[6a](C[6a]C[6a]H)2(PPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(PC[6a]Cu2)(PC[6a]CuP)	C[6a](C[6a]C[6a]H)2(PPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(PC[6a]Cu2)(PC[6a]CuP)	120.7915	6.096	2	120.7915	37.161	2	120.7915	37.161	2	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:P[3]-4:P[3]-4:	C[6a](C[6a]C[6a]H)2(PP[3]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(P[3]C[3]2W)2	C[6a](C[6a]C[6a]H)2(PP[3]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(P[3]C[3]2W)2	121.0195	7.324	2	121.0195	53.634	2	121.0195	53.634	2	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]H)2(PSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6a]C[6a]2)(SiC[6a]CC)2	C[6a](C[6a]C[6a]H)2(PSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(SiC[6a]CC)2	120.8265	5.761	2	120.8265	33.187	2	120.8265	33.187	2	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	3:4:4:	N[5a,6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6]2)	C[6a](C[6a]N[5a,6a]P)(C[6a]C[6a]H)(H)	P(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6]2){1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]N[5a,6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>}	P(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)2	121.1630	0.000	1	121.1630	0.000	1	121.1630	0.000	1	121.7349	10.905	174	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(PC[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(PC[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(H)	120.6600	2.716	4	120.6600	7.377	4	120.6600	7.377	4	120.2900	3.446	8	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)2(PC[5]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(PC[5]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(O)	119.9200	0.547	4	119.9200	0.300	4	119.9200	0.300	4	120.2900	3.446	8	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]B[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(B[6]B[6]P[6]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]B[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(B[6]B[6]P[6]H)(C[6a]C[6a]2)2	120.6260	3.494	3	120.6260	12.206	3	120.9716	9.539	7	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	B[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]B[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(B[6]C[6,6a]B[6]Br)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]B[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(B[6]C[6,6a]B[6]Br)(C[6a]C[6a]2)2	121.2308	3.276	4	121.2308	10.731	4	120.9716	9.539	7	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	B[6a]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PB[6a]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(B[6a]C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PB[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|F<1>,1|H<1>}	P(B[6a]C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	121.4605	3.537	4	121.4605	12.510	4	121.4605	12.510	4	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)2	121.0983	4.001	4	121.0983	16.009	4	120.8605	8.049	8	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(CC[6a]C[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(CC[6a]C[5]H)(C[6a]C[6a]2)2	120.6227	1.619	4	120.6227	2.621	4	120.8605	8.049	8	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>}	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2	122.2063	0.127	3	122.2063	0.016	3	120.7875	12.085	613	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2	120.9050	4.106	4	120.9050	16.859	4	120.7875	12.085	613	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[5]C[5]2Mn)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5]2Mn)(C[6a]C[6a]2)2	120.5960	4.078	8	120.5960	16.631	8	120.7875	12.085	613	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2	120.9652	4.470	16	120.9652	19.984	16	120.7875	12.085	613	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	120.7401	4.859	8	120.7401	23.606	8	120.7875	12.085	613	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5,6a]2P)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5,6a]2P)(C[6a]C[6a]2)2	120.7909	3.510	8	120.7909	12.323	8	120.7875	12.085	613	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2	120.8533	3.181	4	120.7811	11.667	546	120.7875	12.085	613	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2	120.7805	3.420	542	120.7811	11.667	546	120.7875	12.085	613	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5]2Mn)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5]2Mn)(C[6a]C[6a]2)2	120.4351	3.085	8	120.4351	9.520	8	120.7875	12.085	613	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5]2Zr)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5]2Zr)(C[6a]C[6a]2)2	120.8379	4.525	8	120.8379	20.471	8	120.7875	12.085	613	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	120.8425	5.807	4	120.8425	33.724	4	120.7875	12.085	613	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H)	P(C[6]C[6]2Cr)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[6]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6]C[6]2Cr)(C[6a]C[6a]2)2	120.6530	6.972	4	120.6530	48.615	4	120.6708	19.422	28	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6]C[6]2Cr)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6]C[6]2Cr)(C[6a]C[6a]2)2	120.6737	4.057	24	120.6737	16.459	24	120.6708	19.422	28	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	P[6]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]P[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(P[6]C[6]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]P[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(P[6]C[6]2Fe)(C[6a]C[6a]2)2	120.7190	4.618	4	120.7190	21.326	4	120.7190	21.326	4	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	Si-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]Si)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(SiNb[10x3]CC)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(SiNb[10x3]CC)(C[6a]C[6a]2)2	121.1038	4.514	4	121.1038	20.375	4	121.1038	20.375	4	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	Si[4]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[6a]Si[4])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(Si[4]N[4]2N)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]Si[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(Si[4]N[4]2N)(C[6a]C[6a]2)2	120.8868	3.719	8	120.8868	13.830	8	120.8868	13.830	8	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	P-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[6,6]-4:C[6a]-3:C[6a]-3:	C[6a](PB[6,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(B[6,6]C[6,6a]B[6,6]P[6])(C[6a]C[6a]2)2	C[6a](PB[6,6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(B[6,6]C[6,6a]B[6,6]P[6])(C[6a]C[6a]2)2	121.1150	4.485	4	121.1150	20.112	4	121.1150	20.112	4	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	P-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[6a](PC[3,5,5]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]2)2	C[6a](PC[3,5,5]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]2)2	120.6880	4.000	4	120.6880	16.000	4	120.6880	16.000	4	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	P-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[6a](PC[3,5]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]2)2	C[6a](PC[3,5]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]2)2	120.9020	4.685	4	120.9020	21.946	4	120.9020	21.946	4	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	P-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a](PC[5,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[6a](PC[5,6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|F<1>,1|H<1>}	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	120.9800	4.041	8	120.9430	14.522	20	120.9430	14.522	20	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	P-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a](PC[5,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[6a](PC[5,6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	120.9183	3.833	12	120.9430	14.522	20	120.9430	14.522	20	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	P-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6a](PC[6,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2	C[6a](PC[6,6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2	120.8300	5.768	4	120.8300	33.272	4	120.8300	33.272	4	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:3:	P-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	P[6,6]-4:C[6a]-3:C[6a]-3:	C[6a](PP[6,6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(P[6,6]C[6,6]2N)(C[6a]C[6a]2)2	C[6a](PP[6,6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(P[6,6]C[6,6]2N)(C[6a]C[6a]2)2	120.2405	3.553	4	120.2405	12.625	4	120.2405	12.625	4	120.7952	12.429	716	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|P<3>}	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)	121.8740	0.000	1	121.8740	0.000	1	121.8740	0.000	1	121.8740	0.000	1	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[3x6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[3x6]C[6,6]3)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[3x6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,1|H<1>,1|O<2>}	P(C[3x6]C[6,6]3)2(C[6a]C[6a]2)	124.5840	0.000	1	124.5840	0.000	1	124.5840	0.000	1	121.1136	18.410	9	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5]2Fe)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(PC[5]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5]2Fe)2(C[6a]C[6a]2)	120.9072	4.642	6	120.9072	21.545	6	120.6797	19.104	8	121.1136	18.410	9	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)2(PC[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5]C[5]2Mo)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(PC[5]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5]C[5]2Mo)2(C[6a]C[6a]2)	119.9975	4.976	2	119.9975	24.760	2	120.6797	19.104	8	121.1136	18.410	9	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	5:3:3:	P-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:	C[6a](PC[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2	C[6a](PC[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2	121.0654	7.194	8	121.0654	51.755	8	121.0654	51.755	8	121.0654	51.755	8	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	6:3:3:	P-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[6a](PB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)2	C[6a](PB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)2	120.7820	4.016	4	120.7820	16.131	4	120.7820	16.131	4	120.9568	34.872	14	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	6:3:3:	P-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[6a](PC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)2	C[6a](PC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)2	120.7560	10.106	2	120.7560	102.131	2	121.0267	44.975	10	120.9568	34.872	14	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:1:	6:3:3:	P-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	C[6a](PC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)2	C[6a](PC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(H){1|C<3>,2|H<1>}	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)2	121.0944	6.573	8	121.0944	43.209	8	121.0267	44.975	10	120.9568	34.872	14	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(PHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OH)	P(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(PHH){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OH){2|H<1>,3|C<3>}	P(C[6a]C[6a]2)(H)2	119.7980	0.000	1	119.7980	0.000	1	119.7980	0.000	1	120.6917	5.993	3	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]O)2(PHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	P(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)2(PHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|O<2>}	P(C[6a]C[6a]2)(H)2	121.1385	3.285	2	121.1385	10.788	2	121.1385	10.788	2	120.6917	5.993	3	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	117.4300	0.000	1	117.4300	0.000	1	118.0102	0.217	4	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.2037	0.318	3	118.2037	0.101	3	118.0102	0.217	4	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	117.8066	0.552	5	117.8066	0.305	5	117.8067	0.244	6	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a])	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	117.8070	0.000	1	117.8070	0.000	1	117.8067	0.244	6	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(PC[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OP)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(PC[6a]2){3|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(OP){1|H<1>,4|C<3>}	P(C[6a]C[6a]2)3	118.3280	1.624	2	118.3280	2.636	2	117.7034	1.422	23	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	117.2770	0.000	1	117.2770	0.000	1	117.7034	1.422	23	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	116.9229	0.886	10	116.9229	0.784	10	117.7034	1.422	23	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.6590	0.790	4	118.6590	0.624	4	117.7034	1.422	23	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4])	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OP[4]){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.4934	1.148	5	118.4934	1.318	5	117.7034	1.422	23	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OTi)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OTi){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	116.9140	0.000	1	116.9140	0.000	1	117.7034	1.422	23	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	P(C[6a]C[6a]2)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2)	117.1510	1.444	2	117.1510	2.085	2	117.1510	2.085	2	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SAs)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SAs){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	117.6820	0.912	2	117.6820	0.832	2	118.4887	2.108	20	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SC)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SC){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	119.5312	0.303	5	119.5312	0.092	5	118.4887	2.108	20	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SC[6a])	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SC[6a]){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	119.3610	0.000	1	119.3610	0.000	1	118.4887	2.108	20	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SGa)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SGa){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	116.6910	2.162	4	116.6910	4.674	4	118.4887	2.108	20	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SH)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.8286	0.705	8	118.8286	0.496	8	118.4887	2.108	20	118.0025	1.551	55	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	P(C[6a]C[6a]2)2(CC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CC3)	115.9485	1.049	2	115.9485	1.100	2	116.8180	2.818	3	116.8180	2.818	3	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH)	P(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(OH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCHH)	118.5570	0.000	1	118.5570	0.000	1	116.8180	2.818	3	116.8180	2.818	3	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NP)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	117.5140	0.426	2	117.5140	0.181	2	117.5140	0.181	2	120.3178	11.134	8	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	P(C[6a]C[6a]2)(CC3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)(CC3)2	124.1140	0.000	1	124.6275	0.527	2	120.8680	13.092	5	120.3178	11.134	8	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	P(C[6a]C[6a]2)(CC3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)(CC3)2	125.1410	0.000	1	124.6275	0.527	2	120.8680	13.092	5	120.3178	11.134	8	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(PCC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(OH)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(PCC){1|C<3>,1|F<1>,1|O<2>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(OH){1|C<3>,1|F<1>,1|P<3>}	P(C[6a]C[6a]2)(CCCH)2	116.6100	0.000	1	116.6100	0.000	1	120.8680	13.092	5	120.3178	11.134	8	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OZr)	P(C[6a]C[6a]2)(CC3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OZr){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CC3)2	119.2375	0.351	2	119.2375	0.124	2	120.8680	13.092	5	120.3178	11.134	8	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(PC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(PC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	123.1740	0.000	1	123.1740	0.000	1	123.1740	0.000	1	120.3178	11.134	8	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:2:	4:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:O-2:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[3x6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OSi)	P(C[3x6]C[6,6]3)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[3x6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OSi){1|C<3>,2|H<1>}	P(C[3x6]C[6,6]3)2(C[6a]C[6a]2)	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:Cl-1:Cl-1:	C[6a](C[6a]C[6a]2)2(PCl2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]2)2(PCl2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){3|H<1>,4|C<3>}	P(C[6a]C[6a]2)(Cl)2	119.8410	9.655	4	119.8410	93.228	4	119.8410	93.228	4	120.4497	37.311	9	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]2)2(PHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)2(PHH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,2|C<4>,4|C<3>}	P(C[6a]C[6a]2)(H)2	120.0842	0.731	4	120.0842	0.534	4	120.0842	0.534	4	120.4497	37.311	9	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	P(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(H)2	124.3460	0.000	1	124.3460	0.000	1	124.3460	0.000	1	120.4497	37.311	9	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(POO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	P(C[6a]C[6a]2)(OC[6a])2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(POO){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|O<2>,2|H<1>,6|C<3>}	P(C[6a]C[6a]2)(OC[6a])2	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	119.4060	21.567	3	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:	C[6a](C[6a]C[6a]2)2(POO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(OC[5])2	C[6a](C[6a]C[6a]2)2(POO){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,2|C<4>,4|C<3>}	P(C[6a]C[6a]2)(OC[5])2	120.3510	6.146	2	120.3510	37.775	2	120.3510	37.775	2	119.4060	21.567	3	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHP)	P(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(H)	118.6210	0.000	1	118.6210	0.000	1	118.6210	0.000	1	119.8013	3.366	3	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]2)2(PHP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(PC[6a]H)(H)	C[6a](C[6a]C[6a]2)2(PHP){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,2|C<4>,4|C<3>}	P(C[6a]C[6a]2)(PC[6a]H)(H)	120.3915	2.155	2	120.3915	4.642	2	120.3915	4.642	2	119.8013	3.366	3	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:P-2:	C[6a](C[6a]C[6a]2)2(PC[5]P)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(C[5]N[5]2)(PC[6a])	C[6a](C[6a]C[6a]2)2(PC[5]P){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,2|C<4>,4|C<3>}	P(C[6a]C[6a]2)(C[5]N[5]2)(PC[6a])	121.1940	7.945	2	121.1940	63.124	2	121.1940	63.124	2	121.1940	63.124	2	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:P-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(PC[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(C[6a]C[5,6a]P)	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(PC[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(C[6a]C[5,6a]P){1|O<2>,1|P<3>,2|H<1>,3|C<3>,3|C<4>}	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	114.5775	0.122	2	114.5775	0.015	2	114.5775	0.015	2	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]C[6a])(C[6a]C[6a]P){1|C<4>,1|H<1>,1|P<3>,2|O<2>,3|C<3>}	P(C[6a]C[6a]2)3	116.5643	1.217	3	116.5643	1.482	3	116.5643	1.482	3	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|N<2>,1|N<3>,1|P<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.9625	0.353	2	119.1244	0.652	12	119.1244	0.652	12	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	P(C[6a]C[6a]2)3	119.7940	0.000	1	119.1244	0.652	12	119.1244	0.652	12	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,3|H<1>}	P(C[6a]C[6a]2)3	119.0860	0.904	9	119.1244	0.652	12	119.1244	0.652	12	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6]C[6,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	P(C[6a]C[6a]2)3	118.9890	0.076	2	118.9890	0.006	2	118.9890	0.006	2	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a]N[5a]2)(C[6a]C[6a]P){1|C<4>,2|H<1>,5|C<3>}	P(C[6a]C[6a]2)3	117.8710	0.000	1	117.8710	0.000	1	117.8710	0.000	1	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(CNO)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(CNO){1|H<1>,1|O<2>,3|C<3>}	P(C[6a]C[6a]2)3	118.3183	0.330	3	118.3183	0.109	3	118.3183	0.109	3	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[5])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(C[5]N[5]2){2|H<1>,3|C<3>,3|C<4>}	P(C[6a]C[6a]2)3	118.3448	0.454	4	118.3448	0.206	4	118.3448	0.206	4	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|N<3>,2|H<1>,6|C<3>}	P(C[6a]C[6a]2)3	118.2190	0.000	1	118.2029	0.404	8	118.3556	0.599	11	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|P<3>,2|H<1>,6|C<3>}	P(C[6a]C[6a]2)3	118.3037	0.690	6	118.2029	0.404	8	118.3556	0.599	11	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P){2|H<1>,7|C<3>}	P(C[6a]C[6a]2)3	117.5820	0.000	1	118.2029	0.404	8	118.3556	0.599	11	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]P){2|H<1>,6|C<3>}	P(C[6a]C[6a]2)3	118.7630	1.114	3	118.7630	1.240	3	118.3556	0.599	11	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NCC){1|H<1>,1|N<3>,3|C<3>}	P(C[6a]C[6a]2)3	118.4096	2.071	5	118.4096	4.291	5	118.9123	3.709	7	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[3x6]C)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[3x6]C){2|H<1>,3|C<3>}	P(C[6a]C[6a]2)3	119.5920	0.000	1	119.5920	0.000	1	118.9123	3.709	7	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[6,6]C)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[6,6]C){2|H<1>,3|C<3>}	P(C[6a]C[6a]2)3	120.7460	0.000	1	120.7460	0.000	1	118.9123	3.709	7	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:As-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(AsC[6a]2)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(AsC[6a]2){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.0003	0.570	3	118.0003	0.325	3	118.0003	0.325	3	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	115.4413	1.288	3	115.4413	1.658	3	115.5940	1.198	4	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BHN)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BHN){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	116.0520	0.000	1	116.0520	0.000	1	115.5940	1.198	4	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH)	P(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2)	116.7730	0.000	1	116.7730	0.000	1	116.7730	0.000	1	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(PC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(CC[6a]C)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(PC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(CC[6a]C){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)3	118.2770	0.369	3	118.2770	0.136	3	119.9227	3.081	33	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	120.0689	3.343	7	120.0689	11.178	7	119.9227	3.081	33	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCO)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCO){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	120.6950	0.000	1	120.6950	0.000	1	119.9227	3.081	33	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	119.7823	0.867	15	119.7823	0.752	15	119.9227	3.081	33	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHO)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHO){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	120.3030	0.000	1	120.3030	0.000	1	119.9227	3.081	33	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CNO){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	119.7900	1.011	3	119.7900	1.021	3	119.9227	3.081	33	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(COO){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	121.6780	0.196	3	121.6780	0.039	3	119.9227	3.081	33	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]N[6]2)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	P(C[6a]C[6a]2)3	121.6230	0.000	1	121.6230	0.000	1	121.6230	0.000	1	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[6a]C[6a]2)2(PCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]2)2(PCC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,2|C<4>,4|C<3>}	P(C[6a]C[6a]2)(CCH)2	120.7240	8.047	2	120.7240	64.752	2	120.7240	64.752	2	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[5]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(C[5]N[5]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[5]2){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]P){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	P(C[6a]C[6a]2)(C[5]N[5]2)2	114.9960	0.000	1	114.9960	0.000	1	114.9960	0.000	1	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]P){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	P(C[6a]C[6a]2)3	117.3280	0.000	1	117.3280	0.000	1	119.4177	13.602	9	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|S<2>,2|H<1>,3|C<3>}	P(C[6a]C[6a]2)3	119.3870	0.000	1	119.3645	0.001	2	119.4177	13.602	9	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,2|O<2>,3|C<3>}	P(C[6a]C[6a]2)3	119.3420	0.000	1	119.3645	0.001	2	119.4177	13.602	9	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P){2|H<1>,2|O<2>,3|C<3>}	P(C[6a]C[6a]2)3	118.1440	0.000	1	118.1440	0.000	1	119.4177	13.602	9	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6a]N[6a]2)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6a]N[6a]2){2|C<4>,2|H<1>,3|C<3>}	P(C[6a]C[6a]2)3	118.5540	0.000	1	118.5540	0.000	1	119.4177	13.602	9	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(PC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)2(PC[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){3|H<1>,4|C<3>}	P(C[6a]C[6a]2)3	120.5010	5.697	4	120.5010	32.460	4	119.4177	13.602	9	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N-3:	C[6a](C[6a]C[6a]2)2(PNN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(NCC)2	C[6a](C[6a]C[6a]2)2(PNN){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,2|C<4>,4|C<3>}	P(C[6a]C[6a]2)(NCC)2	120.8360	11.560	2	120.8360	133.629	2	120.8360	133.629	2	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[3x6]C)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[3x6]C){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	120.1740	0.000	1	120.1740	0.000	1	118.4862	1.034	11	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.1275	0.748	4	118.1275	0.560	4	118.4862	1.034	11	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	116.8000	0.000	1	118.0303	1.228	3	118.4862	1.034	11	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.6455	0.431	2	118.0303	1.228	3	118.4862	1.034	11	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHN){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	117.7630	0.000	1	117.7630	0.000	1	118.4862	1.034	11	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHS)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NHS){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	119.4050	0.099	2	119.4050	0.010	2	118.4862	1.034	11	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[5]C)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[5]C){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.4250	0.000	1	118.4250	0.000	1	118.4786	0.652	21	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.4813	0.828	20	118.4813	0.686	20	118.4786	0.652	21	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:S-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SC[6a]O)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SC[6a]O){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.8330	0.396	2	118.8330	0.157	2	118.8330	0.157	2	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	N[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(PC[6a]2)	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(PC[6a]2){1|Ge<3>,2|C<3>,2|H<1>}	C[6a](N[4]Ge[4]C[4])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	P(C[6a]C[6a]2)3	116.9430	0.000	1	116.9430	0.000	1	116.9430	0.000	1	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,2|C<3>,2|C<4>}	C[6a](N[5]C[5,6a]C[5])(C[6a]C[6a]C)(C[6a]C[6a]P){1|C<4>,3|C<3>,4|H<1>}	P(C[6a]C[6a]2)3	115.9610	0.000	1	115.9610	0.000	1	117.4692	1.756	4	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5]C[5]N[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,3|H<1>}	P(C[6a]C[6a]2)3	118.1090	0.000	1	118.1090	0.000	1	117.4692	1.756	4	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[6a](N[5]C[5]P[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	P(C[6a]C[6a]2)3	116.8530	0.000	1	116.8530	0.000	1	117.4692	1.756	4	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[6a](N[5]P[5,5]C[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,1|C<4>,1|N<3>,1|P<4>,4|H<1>}	P(C[6a]C[6a]2)3	118.9540	0.000	1	118.9540	0.000	1	117.4692	1.756	4	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	N[5a]-3:C[6a]-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)(PC[6a]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	P(C[6a]C[6a]2)3	119.1930	0.000	1	119.1930	0.000	1	120.0146	2.973	5	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	N[5a]-3:C[6a]-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)(PC[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,1|P<3>,2|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.7110	0.000	1	120.2200	3.683	4	120.0146	2.973	5	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	N[5a]-3:C[6a]-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)(PC[6a]2)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|N<2>,2|C<3>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,2|C<3>,3|H<1>}	P(C[6a]C[6a]2)3	120.7230	2.002	3	120.2200	3.683	4	120.0146	2.973	5	118.8129	4.848	145	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN)	P(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHN){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCHH)	119.1400	1.972	4	119.1400	3.889	4	119.1400	3.889	4	118.8051	4.581	8	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	P(C[6a]C[6a]2)2(CHHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CHHP)	118.4702	2.549	4	118.4702	6.500	4	118.4702	6.500	4	118.8051	4.581	8	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:Cl-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PClC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(CC3)(Cl)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PClC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,2|O<2>,3|C<3>}	P(C[6a]C[6a]2)(CC3)(Cl)	118.2825	0.265	2	118.2825	0.070	2	118.2825	0.070	2	119.2075	2.300	4	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]2)2(PHP)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(PC[6a]HO)(H)	C[6a](C[6a]C[6a]2)2(PHP){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|H<1>,2|C<4>,4|C<3>}	P(C[6a]C[6a]2)(PC[6a]HO)(H)	120.1325	1.846	2	120.1325	3.409	2	120.1325	3.409	2	119.2075	2.300	4	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(PC[6]2)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(PC[6]2){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	118.6970	0.000	1	118.6970	0.000	1	118.6970	0.000	1	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]P){3|H<1>,6|C<3>}	P(C[6a]C[6a]2)(CCCH)2	120.4980	0.000	1	120.4980	0.000	1	120.4980	0.000	1	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	122.1140	0.000	1	122.1140	0.000	1	122.1140	0.000	1	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(CC3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	P(C[6a]C[6a]2)(CC3)2	118.5430	0.000	1	118.5430	0.000	1	118.7383	1.122	7	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){3|C<3>,4|H<1>}	P(C[6a]C[6a]2)(CH3)2	119.8160	0.687	2	119.8160	0.472	2	118.7383	1.122	7	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6a]N[6a]2)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6a]N[6a]2){2|C<4>,2|H<1>,3|C<3>}	P(C[6a]C[6a]2)(CCCH)2	119.0010	0.235	2	119.0010	0.055	2	118.7383	1.122	7	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(CC3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]P){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	P(C[6a]C[6a]2)(CC3)2	118.0500	0.000	1	118.0500	0.000	1	118.7383	1.122	7	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(CC3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	P(C[6a]C[6a]2)(CC3)2	116.9410	0.000	1	116.9410	0.000	1	118.7383	1.122	7	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,3|C<3>,3|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	118.8695	0.049	2	118.7100	0.902	5	118.8813	0.750	7	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,2|O<2>,3|C<3>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	117.8385	0.093	2	118.7100	0.902	5	118.8813	0.750	7	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){3|C<3>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	120.1340	0.000	1	118.7100	0.902	5	118.8813	0.750	7	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2){2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(C[6a]C[6a]P){1|N<4>,2|H<1>,4|C<3>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	119.3095	0.614	2	119.3095	0.378	2	118.8813	0.750	7	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|Br<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	120.4285	1.524	2	120.4285	2.322	2	120.0615	2.810	10	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	120.9373	1.884	4	120.9373	3.551	4	120.0615	2.810	10	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	119.7600	1.472	2	119.7600	2.167	2	120.0615	2.810	10	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	118.2445	0.149	2	118.2445	0.022	2	120.0615	2.810	10	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCC){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	118.4400	0.000	1	118.4400	0.000	1	118.4400	0.000	1	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PCC)	C[6a](N[5]C[5,6a]B[5])(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PCC){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6a](N[5]C[5,6a]B[5])(C[6a]C[6a]H)(C[6a]C[6a]P){1|P<4>,2|F<1>,2|H<1>,3|C<3>}	P(C[6a]C[6a]2)(CCCH)2	119.4360	0.000	1	119.4360	0.000	1	119.4360	0.000	1	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PCC)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PCC){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){1|B<3>,1|H<1>,5|C<3>}	P(C[6a]C[6a]2)(CCCH)2	120.7650	0.000	1	120.7650	0.000	1	120.7650	0.000	1	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6]2)	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6]2){2|H<1>,3|C<3>}	C[6a](N[5a]C[5a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	120.0180	0.000	1	120.0180	0.000	1	120.0180	0.000	1	119.4813	1.929	31	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:P-3:	C[5]-4:C[6a]-3:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2){1|C<3>,2|H<1>}	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)	119.8330	0.000	1	119.8330	0.000	1	119.8330	0.000	1	119.8330	0.000	1	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Cl-1:Cl-1:	C[6a](C[6a]C[6a]C)2(PCl2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]C)2(PCl2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<2>,1|C<3>,1|C<4>}	P(C[6a]C[6a]2)(Cl)2	119.6110	8.548	2	119.8473	51.119	4	119.9271	49.589	8	119.9584	31.559	12	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Cl-1:Cl-1:	C[6a](C[6a]C[6a]C)2(PCl2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]C)2(PCl2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(Cl)2	120.0835	8.948	2	119.8473	51.119	4	119.9271	49.589	8	119.9584	31.559	12	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Cl-1:Cl-1:	C[6a](C[6a]C[6a]C)2(PCl2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]C)2(PCl2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<2>,1|C<3>,1|C<4>}	P(C[6a]C[6a]2)(Cl)2	119.9220	10.078	2	120.0070	64.572	4	119.9271	49.589	8	119.9584	31.559	12	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Cl-1:Cl-1:	C[6a](C[6a]C[6a]C)2(PCl2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(Cl)2	C[6a](C[6a]C[6a]C)2(PCl2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(Cl)2	120.0920	9.598	2	120.0070	64.572	4	119.9271	49.589	8	119.9584	31.559	12	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:H-1:H-1:	C[6a](C[6a]C[6a]C)2(PHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(PHH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<2>,1|C<3>,1|C<4>}	P(C[6a]C[6a]2)(H)2	120.0210	0.008	4	120.0210	0.000	4	120.0210	0.000	4	119.9584	31.559	12	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-2:Cl-1:	C[6a](C[6a]C[6a]C)2(PClC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(CC)(Cl)	C[6a](C[6a]C[6a]C)2(PClC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC)(Cl)	120.1430	8.321	2	120.1430	69.243	2	120.1430	69.243	2	120.1430	69.243	2	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-3:H-1:	C[6a](C[6a]C[6a]C)2(PCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(CMnC)(H)	C[6a](C[6a]C[6a]C)2(PCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CMnC)(H)	120.3425	2.866	2	120.3425	8.213	2	120.3425	8.213	2	120.8111	13.039	34	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[4]-3:S-1:	C[6a](C[6a]C[6a]C)2(PC[4]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(C[4]Ge[4]2)(S)	C[6a](C[6a]C[6a]C)2(PC[4]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(C[4]Ge[4]2)(S)	120.2085	0.571	2	120.2085	0.326	2	120.2085	0.326	2	120.8111	13.039	34	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]Cl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3)	P(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(Cl)	120.4775	0.078	2	120.4775	0.006	2	121.2687	27.562	6	120.8111	13.039	34	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]C)2(PC[6a]Cl)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3)	P(C[6a]C[6a]2)2(Cl)	C[6a](C[6a]C[6a]C)2(PC[6a]Cl){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(Cl)	121.6642	6.731	4	121.6642	45.309	4	121.2687	27.562	6	120.8111	13.039	34	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(H)	123.6880	0.000	1	123.6880	0.000	1	120.6793	2.893	9	120.8111	13.039	34	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(PC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(PC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(H)	120.2945	1.986	4	120.2945	3.942	4	120.6793	2.893	9	120.8111	13.039	34	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(PC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	120.3120	0.615	4	120.3120	0.378	4	120.6793	2.893	9	120.8111	13.039	34	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]C)2(PC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(PC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(O)	120.4735	5.840	4	120.4735	34.102	4	120.4735	34.102	4	120.8111	13.039	34	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:S-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)2(S)	128.1050	0.000	1	128.1050	0.000	1	122.8357	35.794	3	120.8111	13.039	34	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:S-1:	C[6a](C[6a]C[6a]C)2(PC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]C)2(PC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(S)	120.2010	5.472	2	120.2010	29.938	2	122.8357	35.794	3	120.8111	13.039	34	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:H-1:	C[6a](C[6a]C[6a]C)2(PHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSi2H)	P(C[6a]C[6a]2)(PC[5]P)(H)	C[6a](C[6a]C[6a]C)2(PHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSi2H){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(PC[5]P)(H)	120.2936	3.150	8	120.2936	9.919	8	120.2936	9.919	8	120.8111	13.039	34	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(PC[6]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6]B[6]C[6])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]C)2(PC[6]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6]B[6]C[6])(C[6a]C[6a]2)(CC)	120.4015	7.838	2	120.4015	61.439	2	120.4015	61.439	2	120.4530	24.529	30	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(CC)	120.2788	5.057	4	120.2788	25.578	4	120.2788	25.578	4	120.4530	24.529	30	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:Ge-2:	C[6a](C[6a]C[6a]C)2(PC[6a]Ge)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)2(GeP)	C[6a](C[6a]C[6a]C)2(PC[6a]Ge){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(GeP)	120.6259	3.701	8	120.6259	13.694	8	120.6259	13.694	8	120.4530	24.529	30	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(NS)	119.0945	2.239	2	119.0945	5.015	2	120.1470	28.133	6	120.4530	24.529	30	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]C)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]C)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(NC[6a])	120.6732	6.641	4	120.6732	44.108	4	120.1470	28.133	6	120.4530	24.529	30	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)2(PC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(OB)	C[6a](C[6a]C[6a]C)2(PC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(OB)	120.8683	5.766	4	120.8683	33.242	4	120.6240	28.537	8	120.4530	24.529	30	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)2(PC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(OB[5a])	C[6a](C[6a]C[6a]C)2(PC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(OB[5a])	120.3798	5.761	4	120.3798	33.184	4	120.6240	28.537	8	120.4530	24.529	30	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:C-2:	C[6a](C[6a]C[6a]C)2(PCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(NC[6a]2)(CC)	C[6a](C[6a]C[6a]C)2(PCN){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(NC[6a]2)(CC)	120.3955	11.650	2	120.3955	135.713	2	120.3955	135.713	2	120.4530	24.529	30	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[5]B[5]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[5]B[5]C[5])(C[6a]C[6a]2)2	121.0318	8.149	4	121.0318	66.410	4	121.0318	66.410	4	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[5]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(PC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(C[5]N[5]2)(CC[6a]2)	120.6585	9.578	2	120.6585	91.734	2	120.6585	91.734	2	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(CCH)	120.4343	5.919	8	120.4343	35.031	8	120.3757	42.281	16	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(CC[6]C)	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(CC[6]C)	120.3413	8.447	4	120.3413	71.352	4	120.3757	42.281	16	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(CC[6a]O)	120.2930	7.635	4	120.2930	58.294	4	120.3757	42.281	16	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	123.6050	0.000	1	123.6050	0.000	1	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.8988	1.523	5	118.9255	1.328	8	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.9700	0.041	3	118.9255	1.328	8	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]CH)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]CH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	119.8270	0.000	1	119.8270	0.000	1	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HH)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.9150	0.552	4	118.9150	0.305	4	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HN)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HN){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	120.8603	0.448	3	120.8603	0.201	3	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HO)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HO){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	119.1705	1.006	2	119.1705	1.012	2	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HP)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	120.6970	0.000	1	120.6970	0.000	1	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	119.5360	0.000	1	119.5360	0.000	1	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2O)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2O){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	121.7920	0.093	2	121.7920	0.009	2	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	120.1952	0.547	6	120.8997	1.558	10	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	121.9565	1.301	4	120.8997	1.558	10	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.4450	0.042	2	118.4450	0.002	2	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.9489	0.559	30	118.9489	0.313	30	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHP)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.4363	0.366	3	118.4363	0.134	3	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHS)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHS){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	119.4190	0.790	4	119.4190	0.624	4	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN[6]HH)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CN[6]HH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.0380	0.000	1	118.0380	0.000	1	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSnHH)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CSnHH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	117.4880	0.785	5	117.4880	0.617	5	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)3	120.3496	6.867	14	119.9363	31.542	48	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)3	119.7661	5.123	34	119.9363	31.542	48	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2	120.7751	7.573	8	120.7751	57.356	8	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	120.5700	7.771	4	120.5700	60.388	4	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	120.5602	7.677	4	120.5602	58.943	4	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	120.8312	8.499	8	120.8312	72.232	8	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)3	120.5576	6.464	16	120.5576	41.780	16	119.8270	21.543	166	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(NC[6a]H)	C[6a](C[6a]C[6a]C)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(NC[6a]H)	119.8579	6.933	11	119.8579	48.060	11	120.0837	46.169	15	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]C)2(PC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(NC[6a]Zn)	C[6a](C[6a]C[6a]C)2(PC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(NC[6a]Zn)	120.7045	7.386	4	120.7045	54.554	4	120.0837	46.169	15	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(PC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2)	118.8565	1.114	4	118.8565	1.240	4	119.8602	46.273	20	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]C)2(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)2(PC[6a]2)	C[6a](C[6a]C[6a]C)2(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(PC[6a]2)	120.1112	7.618	16	120.1112	58.029	16	119.8602	46.273	20	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]C)2(PPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(PC[6a]Pt)(PC[6a]P)	C[6a](C[6a]C[6a]C)2(PPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(PC[6a]Pt)(PC[6a]P)	120.7552	7.625	10	120.7552	58.139	10	120.7589	55.950	12	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:P-3:	C[6a](C[6a]C[6a]C)2(PPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(PC[6a]Rh)(PC[6a]P)	C[6a](C[6a]C[6a]C)2(PPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(PC[6a]Rh)(PC[6a]P)	120.7775	9.602	2	120.7775	92.195	2	120.7589	55.950	12	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]C[5]2H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]C[5]2H){2|C<4>,2|H<1>,3|C<3>}	P(C[6a]C[6a]2)3	119.0110	0.000	1	119.0110	0.000	1	119.0110	0.000	1	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2Cl)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2Cl){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	119.4927	0.956	3	119.4927	0.913	3	118.5978	2.258	5	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	117.2555	1.095	2	117.2555	1.200	2	118.5978	2.258	5	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2C)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2C){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	121.2930	0.000	1	121.2930	0.000	1	121.0297	0.113	3	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2Ni)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2Ni){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	120.6510	0.000	1	120.6510	0.000	1	121.0297	0.113	3	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PO3)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PO3){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	121.1450	0.000	1	121.1450	0.000	1	121.0297	0.113	3	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]3)	P(C[6a]C[6a]2)2(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[6a]3){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2)	118.5870	0.000	1	118.5870	0.000	1	118.5870	0.000	1	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SO3)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(PC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SO3){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	119.1550	0.000	1	119.1550	0.000	1	119.1550	0.000	1	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SiC[6a]2F)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SiC[6a]2F){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	118.7183	0.770	3	118.7183	0.593	3	117.6670	1.216	8	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SiC[6a]2H)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SiC[6a]2H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	117.3063	0.857	3	117.3063	0.735	3	117.6670	1.216	8	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SiC[6a]HH)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SiC[6a]HH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3	116.6310	0.057	2	116.6310	0.003	2	117.6670	1.216	8	119.8601	26.536	254	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(PC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]2H)	C[6a](C[6a]C[6a]C)2(PC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]2H)	120.7470	7.563	2	120.7470	57.202	2	120.7470	57.202	2	120.4544	29.074	123	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[3]-3:C-4:	C[6a](C[6a]C[6a]C)2(PC[3]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(C[3]C[3]2)(CCHH)	C[6a](C[6a]C[6a]C)2(PC[3]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(C[3]C[3]2)(CCHH)	119.2430	7.975	4	119.2430	63.596	4	119.2430	63.596	4	120.4544	29.074	123	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCHH)	118.1965	0.361	2	118.1965	0.131	2	120.5136	29.103	114	120.4544	29.074	123	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(CCHP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCHP)	118.1467	1.605	4	118.1467	2.576	4	120.5136	29.103	114	120.4544	29.074	123	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(CHHP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CHHP)	118.3017	1.570	3	118.3017	2.464	3	120.5136	29.103	114	120.4544	29.074	123	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	P(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CCHH)	119.1780	0.168	2	119.1780	0.028	2	120.5136	29.103	114	120.4544	29.074	123	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO)	P(C[6a]C[6a]2)2(CSi2H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHO){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(CSi2H)	119.6172	1.683	4	119.6172	2.832	4	120.5136	29.103	114	120.4544	29.074	123	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(CH3)	120.6194	4.745	8	120.6194	22.511	8	120.5136	29.103	114	120.4544	29.074	123	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(CCCH)	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(CCCH)	120.1080	4.048	8	120.1080	16.385	8	120.5136	29.103	114	120.4544	29.074	123	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(CCHH)	120.9002	5.344	55	120.9002	28.556	55	120.5136	29.103	114	120.4544	29.074	123	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(CCHP)	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(CCHP)	120.6379	8.161	8	120.6379	66.597	8	120.5136	29.103	114	120.4544	29.074	123	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)2(CC[5]CH)	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)2(CC[5]CH)	120.8706	6.958	20	120.8706	48.419	20	120.5136	29.103	114	120.4544	29.074	123	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]P)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3)	P(C[6a]C[6a]2)2(PC[6a]2O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CF3){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(PC[6a]2O)	119.6890	1.370	2	119.6890	1.878	2	119.6890	1.878	2	120.4544	29.074	123	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H)	P(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[5]O[5]2H){1|C<3>,2|C<4>,2|H<1>}	P(C[6a]C[6a]2)2(CCHH)	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	120.4544	29.074	123	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:	C[6a](C[6a]C[6a]C)2(PCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(PCH){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CCHH)(H)	120.5147	1.264	6	120.5147	1.597	6	120.5147	1.597	6	120.4762	1.199	8	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:H-1:	C[6a](C[6a]C[6a]C)2(PHP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(PO3)(H)	C[6a](C[6a]C[6a]C)2(PHP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(PO3)(H)	120.3610	0.611	2	120.3610	0.373	2	120.3610	0.373	2	120.4762	1.199	8	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:Ge-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	P(C[6a]C[6a]2)(CSi2H)(GeCl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CSi2H)(GeCl)	116.0040	0.000	1	116.0040	0.000	1	120.1573	21.866	3	120.0960	50.057	5	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:Ge-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	P(C[6a]C[6a]2)(CSi2H)(GeP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CSi2H)(GeP)	122.2340	4.226	2	122.2340	17.856	2	120.1573	21.866	3	120.0960	50.057	5	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:2:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:O-2:	C[6a](C[6a]C[6a]C)2(PCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[6a]C[6a]2)(CCHH)(OC)	C[6a](C[6a]C[6a]C)2(PCO){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CCHH)(OC)	120.0040	12.509	2	120.0040	156.468	2	120.0040	156.468	2	120.0960	50.057	5	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-4:P-3:	C[6a](C[6a]C[6a]C)2(PPP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(PC[6a]RhH)(PC[6a]P)	C[6a](C[6a]C[6a]C)2(PPP){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(PC[6a]RhH)(PC[6a]P)	120.4180	10.059	2	120.4180	101.190	2	120.4180	101.190	2	120.4180	101.190	2	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]2H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	121.5420	0.000	1	121.5420	0.000	1	121.5420	0.000	1	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	118.9940	0.000	1	118.9940	0.000	1	120.2928	17.090	32	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HH)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[5]HH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	119.4415	0.683	4	119.4415	0.467	4	120.2928	17.090	32	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	121.5805	0.424	2	121.5805	0.179	2	120.2928	17.090	32	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HH)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	119.4870	0.277	4	119.4870	0.077	4	120.2928	17.090	32	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]NiH)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]NiH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	118.7515	0.218	2	118.7515	0.048	2	120.2928	17.090	32	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CHHN){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	119.0820	0.000	1	119.0820	0.000	1	120.2928	17.090	32	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	120.6975	8.964	2	120.6975	80.353	2	120.2928	17.090	32	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH)	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	116.5640	0.000	1	116.3505	0.091	2	120.2928	17.090	32	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH)	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCHH){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	116.1370	0.000	1	116.3505	0.091	2	120.2928	17.090	32	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(CCHH)(CHHN)	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CCHH)(CHHN)	120.8850	5.676	8	120.8850	32.221	8	120.2928	17.090	32	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(CC[5]HH)(CTiCC)	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC[5]HH)(CTiCC)	120.7010	6.324	2	120.7010	39.998	2	120.2928	17.090	32	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	124.8110	0.000	1	125.3655	0.615	2	120.2928	17.090	32	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	125.9200	0.000	1	125.3655	0.615	2	120.2928	17.090	32	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]C)2(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	120.8035	8.835	2	120.8035	78.063	2	120.2928	17.090	32	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	120.6090	0.000	1	120.6090	0.000	1	120.1645	0.395	2	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(PC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(PC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	119.7200	0.000	1	119.7200	0.000	1	120.1645	0.395	2	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]C)2(PSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH)	P(C[6a]C[6a]2)(SiC3)2	C[6a](C[6a]C[6a]C)2(PSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCCH){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[6a]2)(SiC3)2	120.4605	6.389	2	120.4605	40.816	2	120.6937	28.757	6	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:Si-4:Si-4:	C[6a](C[6a]C[6a]C)2(PSi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[6a]C[6a]2)(SiC3)2	C[6a](C[6a]C[6a]C)2(PSi2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[6a]C[6a]2)(SiC3)2	120.8102	5.854	4	120.8102	34.269	4	120.6937	28.757	6	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC3)	P(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC3){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CH3)2	121.3800	0.000	1	121.3800	0.000	1	120.5683	0.542	3	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PCCH)	P(C[6a]C[6a]2)(CH3)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PCCH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CH3)2	120.1625	0.310	2	120.1625	0.096	2	120.5683	0.542	3	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SiC[6a]2H)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SiC[6a]2H){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	117.4977	1.334	3	117.4977	1.780	3	117.4977	1.780	3	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SiC[6a]HH)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SiC[6a]HH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	117.3040	0.000	1	117.3040	0.000	1	117.3040	0.000	1	120.1439	15.164	48	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	Ga[5]-4:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)2(PGa[5]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(Ga[5]N[5]2N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(PGa[5]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(Ga[5]N[5]2N[6])(C[6a]C[6a]2)(H)	121.0090	1.960	2	121.0090	3.842	2	121.0090	3.842	2	121.0090	3.842	2	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|H<1>}	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2	118.7780	0.354	3	118.7780	0.125	3	120.6247	36.217	43	120.5899	34.834	51	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2	120.8023	8.339	4	120.8023	69.539	4	120.6247	36.217	43	120.5899	34.834	51	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(PC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[5]C[5]2Fe)(C[6a]C[6a]2)2	120.7589	6.097	36	120.7589	37.178	36	120.6247	36.217	43	120.5899	34.834	51	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	4:3:3:	P-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a](PC[5,6]C[6a])(C[6a]C[6a]C)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3)	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[6a](PC[5,6]C[6a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CH3){1|C<3>,2|C<4>}	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	120.4029	5.609	8	120.4029	31.464	8	120.4029	31.464	8	120.5899	34.834	51	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:4:	4:3:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(PC[5]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3)	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(PC[5]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC3){1|C<3>,2|C<4>}	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	119.0235	10.962	2	119.0235	120.172	2	119.0235	120.172	2	119.0235	120.172	2	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	3:3:5:	3:4:4:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:B-5:	C[6a]-3:C-4:C-4:	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]FeHH)	P(C[6a]C[6a]2)(CCCH)2	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(BC[6a]FeHH){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(CCCH)2	117.7690	0.000	1	117.7690	0.000	1	117.7690	0.000	1	117.7690	0.000	1	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2){3|C<3>,3|H<1>}	C[6a](C[5]C[5,6a]2H)(C[6a]C[6a]H)(C[6a]C[6a]P){2|H<1>,5|C<3>}	P(C[6a]C[6a]2)3	120.0070	0.000	1	120.0070	0.000	1	119.6085	0.318	2	119.6085	0.318	2	120.8373	14.624	6176	120.8205	14.551	6292
643	643	945	0:SP2_SP2_SP3	C[6a]	C[6a]	P	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[5]C[5]2Mn)(C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]2){1|Mn<10>,1|C<3>,2|C<4>,2|H<1>}	C[6a](C[5]C[5]2Mn)(C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>,4|C<4>}	P(C[6a]C[6a]2)3	119.2100	0.000	1	119.2100	0.000	1	119.6085	0.318	2	119.6085	0.318	2	120.8373	14.624	6176	120.8205	14.551	6292