762	206	790	0:SP2_SP-NON_SP1	C[6]	C[6]	Cl	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:Cl-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])	Cl(C[6]C[6]2)	C[6](C[6]C[6])2(Cl){1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|C<3>}	Cl(C[6]C[6]2)	118.6060	0.669	4	119.0526	0.759	8	119.0526	0.759	8	119.0526	0.759	8	119.4212	0.738	20	119.4212	0.738	20
762	206	790	0:SP2_SP-NON_SP1	C[6]	C[6]	Cl	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:Cl-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])	Cl(C[6]C[6]2)	C[6](C[6]C[6])2(Cl){1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|N<2>}	Cl(C[6]C[6]2)	119.8715	1.300	2	119.0526	0.759	8	119.0526	0.759	8	119.0526	0.759	8	119.4212	0.738	20	119.4212	0.738	20
762	206	790	0:SP2_SP-NON_SP1	C[6]	C[6]	Cl	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:Cl-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])	Cl(C[6]C[6]2)	C[6](C[6]C[6])2(Cl){1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]){2|C<2>}	Cl(C[6]C[6]2)	119.1270	0.358	2	119.0526	0.759	8	119.0526	0.759	8	119.0526	0.759	8	119.4212	0.738	20	119.4212	0.738	20
762	206	790	0:SP2_SP-NON_SP1	C[6]	C[6]	Cl	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:Cl-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	Cl(C[6]C[6]2)	C[6](C[6]C[6])2(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|P<4>}	Cl(C[6]C[6]2)	119.8885	0.631	2	119.8885	0.399	2	119.8885	0.399	2	119.8885	0.399	2	119.4212	0.738	20	119.4212	0.738	20
762	206	790	0:SP2_SP-NON_SP1	C[6]	C[6]	Cl	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])	Cl(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(Cl){1|Fe<6>,1|C<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|C<3>}	Cl(C[6]C[6]2)	118.3270	0.000	1	118.3270	0.000	1	119.7247	1.839	3	119.7247	1.839	3	119.4212	0.738	20	119.4212	0.738	20
762	206	790	0:SP2_SP-NON_SP1	C[6]	C[6]	Cl	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])	Cl(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(Cl){1|C<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|O<2>}	Cl(C[6]C[6]2)	120.4235	0.865	2	120.4235	0.748	2	119.7247	1.839	3	119.7247	1.839	3	119.4212	0.738	20	119.4212	0.738	20
762	206	790	0:SP2_SP-NON_SP1	C[6]	C[6]	Cl	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	Cl(C[6]C[6]2)	119.8737	0.139	3	119.4762	0.443	6	119.5789	0.443	7	119.5789	0.443	7	119.4212	0.738	20	119.4212	0.738	20
762	206	790	0:SP2_SP-NON_SP1	C[6]	C[6]	Cl	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	Cl(C[6]C[6]2)	118.4840	0.000	1	119.4762	0.443	6	119.5789	0.443	7	119.5789	0.443	7	119.4212	0.738	20	119.4212	0.738	20
762	206	790	0:SP2_SP-NON_SP1	C[6]	C[6]	Cl	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|H<1>,1|P<4>}	Cl(C[6]C[6]2)	119.9670	0.000	1	119.4762	0.443	6	119.5789	0.443	7	119.5789	0.443	7	119.4212	0.738	20	119.4212	0.738	20
762	206	790	0:SP2_SP-NON_SP1	C[6]	C[6]	Cl	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|H<1>,2|C<3>}	Cl(C[6]C[6]2)	118.7850	0.000	1	119.4762	0.443	6	119.5789	0.443	7	119.5789	0.443	7	119.4212	0.738	20	119.4212	0.738	20
762	206	790	0:SP2_SP-NON_SP1	C[6]	C[6]	Cl	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:Cl-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	Cl(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(Cl){1|C<2>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|N<3>}	Cl(C[6]C[6]2)	120.1950	0.000	1	120.1950	0.000	1	119.5789	0.443	7	119.5789	0.443	7	119.4212	0.738	20	119.4212	0.738	20
762	206	813	0:SP2_SP1_SP2	C[6]	C[6]	N[5a]	3:2:2:	3:2:	3:3:3:	N[5a]-3:C[6]-2:N[6]-2:	C[6]-3:N[6]-2:	C[5a,6a]-3:C[5a,6a]-3:C[6]-3:	C[6](N[5a]C[5a,6a]2)(C[6]N[6])(N[6]C[6])	C[6](C[6]N[5a]N[6])(N[6]C[6])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6])	C[6](N[5a]C[5a,6a]2)(C[6]N[6])(N[6]C[6]){5|C<3>}	C[6](C[6]N[5a]N[6])(N[6]C[6]){1|C<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6]N[6]){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	120.4920	0.000	1	120.4920	0.000	1	120.4920	0.000	1	120.4920	0.000	1	119.2270	3.872	3	119.2270	3.872	3
762	206	813	0:SP2_SP1_SP2	C[6]	C[6]	N[5a]	3:3:2:	3:2:	3:2:3:	N[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[5a]-3:N[5a]-2:C[6]-3:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]N[5a]C[6])(C[6]C[6])	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(C[6]C[6]2)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(C[6]C[6]2){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	120.2290	0.000	1	120.2290	0.000	1	120.2290	0.000	1	120.2290	0.000	1	119.2270	3.872	3	119.2270	3.872	3
762	206	813	0:SP2_SP1_SP2	C[6]	C[6]	N[5a]	3:3:2:	3:3:	3:3:3:	N[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]N[5a]C[6])(C[6]C[6]H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]C[6]2)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[6]C[6]2){1|C<2>,1|C<3>,2|H<1>}	116.9600	0.000	1	116.9600	0.000	1	116.9600	0.000	1	116.9600	0.000	1	119.2270	3.872	3	119.2270	3.872	3
762	206	818	0:SP2_SP1_SP2	C[6,6]	C[6]	C[5,6]	3:3:2:	3:3:	3:3:2:	C[5a,6,6]-3:C[5,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:N[5,6]-3:S[5]-2:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6]N[5,6]S[5])(C[6]C[6])	C[6](C[6,6]C[5a,6,6]C[5,6])(C[6]C[6]H)	C[5,6](C[6,6]C[5a,6,6]C[6])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6]N[5,6]S[5])(C[6]C[6]){1|B<4>,1|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6,6]C[5,6])(C[6]C[6]H){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	C[5,6](C[6,6]C[5a,6,6]C[6])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|N<3>,2|O<2>,4|C<3>}	124.7630	0.000	1	124.7630	0.000	1	124.7630	0.000	1	124.7630	0.000	1	124.7630	0.000	1	119.9725	3.127	34
762	206	818	0:SP2_SP1_SP2	C[6]	C[6]	C[5]	3:2:2:	3:2:	2:2:3:	C[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[5]-2:S[5]-2:C[6]-3:	C[6](C[5]C[5]S[5])(C[6]C[6])2	C[6](C[6]C[5]C[6])(C[6]C[6])	C[5](C[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]2)	C[6](C[5]C[5]S[5])(C[6]C[6])2{3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|N<3>,1|S<2>,2|C<2>}	C[5](C[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]2){2|C<2>,2|C<3>}	121.1878	1.022	4	121.1878	1.044	4	121.1878	1.044	4	121.1878	1.044	4	119.8274	2.486	33	119.9725	3.127	34
762	206	818	0:SP2_SP1_SP2	C[6]	C[6]	C[5]	3:2:2:	3:2:	3:3:2:	C[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[5]-3:C[6]-3:N[5]-2:	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[6](C[6]C[5]C[6])(C[6]C[6])	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]N[5])	C[6](C[5]C[5]N[5])(C[6]C[6])2{2|C<3>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|C<3>,1|N<2>,2|C<2>}	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]N[5]){4|C<2>}	119.7409	0.924	8	119.8656	0.651	12	119.8656	0.651	12	119.8656	0.651	12	119.8274	2.486	33	119.9725	3.127	34
762	206	818	0:SP2_SP1_SP2	C[6]	C[6]	C[5]	3:2:2:	3:2:	3:3:2:	C[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[5]-3:C[6]-3:N[5]-2:	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[6](C[6]C[5]C[6])(C[6]C[6])	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]N[5])	C[6](C[5]C[5]N[5])(C[6]C[6])2{2|C<3>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|Cl<1>,1|C<2>,1|C<3>,1|N<2>}	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]N[5]){4|C<2>}	120.1150	0.521	4	119.8656	0.651	12	119.8656	0.651	12	119.8656	0.651	12	119.8274	2.486	33	119.9725	3.127	34
762	206	818	0:SP2_SP1_SP2	C[6]	C[6]	C[5]	3:2:2:	3:2:	3:3:3:	C[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[5]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[6](C[6]C[5]C[6])(C[6]C[6])	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]C[5]S)	C[6](C[5]C[5]N[5])(C[6]C[6])2{1|C<2>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[5](C[5]C[6]N[5])(C[6]C[6]2)(N[5]C[5]S){1|Pd<4>,1|C<4>,4|C<2>}	120.2260	2.114	4	120.2260	4.468	4	120.2260	4.468	4	120.2130	2.390	8	119.8274	2.486	33	119.9725	3.127	34
762	206	818	0:SP2_SP1_SP2	C[6]	C[6]	C[5]	3:2:2:	3:2:	3:3:3:	C[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[5]-3:N[5]-3:C[6]-3:	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[6](C[6]C[5]C[6])(C[6]C[6])	C[5](C[5]C[6]N[5])(N[5]C[5]Pd)(C[6]C[6]2)	C[6](C[5]C[5]N[5])(C[6]C[6])2{1|Pd<4>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[5](C[5]C[6]N[5])(N[5]C[5]Pd)(C[6]C[6]2){1|C<4>,1|S<4>,4|C<2>}	120.2000	1.053	4	120.2000	1.108	4	120.2000	1.108	4	120.2130	2.390	8	119.8274	2.486	33	119.9725	3.127	34
762	206	818	0:SP2_SP1_SP2	C[6]	C[6]	C[5]	3:2:2:	3:3:	3:3:3:	C[5]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-3:	C[5]-3:C[6]-3:N[5]-3:	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[6](C[6]C[5]C[6])2	C[5](C[5]N[5]Ir)(C[6]C[6]2)(N[5]N[5]C)	C[6](C[5]C[5]N[5])(C[6]C[6])2{1|Ir<8>,1|C<2>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5]C[6])2{2|N<3>,3|C<3>}	C[5](C[5]N[5]Ir)(C[6]C[6]2)(N[5]N[5]C){1|C<4>,2|C<3>}	119.9728	1.137	6	119.9728	1.294	6	119.9728	1.294	6	119.9728	1.294	6	119.8274	2.486	33	119.9725	3.127	34
762	206	818	0:SP2_SP1_SP2	C[6]	C[6]	C[5]	3:3:2:	3:2:	3:3:2:	C[5]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[5,6]-3:C[6]-3:C[5]-2:	C[6](C[5]C[5,6]C[5])(C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6])	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]2)(C[5]C[5])	C[6](C[5]C[5,6]C[5])(C[6]C[6]N)(C[6]C[6]){1|C<3>,1|N<3>,2|C<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|C<3>,1|N<3>,2|C<2>}	C[5](C[5,6]N[5,6]C[6])(C[6]C[6]2)(C[5]C[5]){1|C<3>,1|N<3>,4|C<2>}	118.1460	0.000	1	118.1460	0.000	1	118.1460	0.000	1	118.1460	0.000	1	119.8274	2.486	33	119.9725	3.127	34
762	206	818	0:SP2_SP1_SP2	C[6]	C[6]	C[5]	4:3:2:	4:3:	3:3:3:	C[6]-4:C[5]-3:C[6]-2:	B[6]-4:C[6]-3:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[6]C[6]HH)(C[5]N[5]2)(C[6]B[6])	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6])	C[5](C[6]C[6]2)(N[5]C[5]C)2	C[6](C[6]C[6]HH)(C[5]N[5]2)(C[6]B[6]){1|O<2>,4|C<3>,4|C<4>}	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5](C[6]C[6]2)(N[5]C[5]C)2{1|B<4>,1|C<4>,4|H<1>}	115.7390	1.034	2	115.7390	1.069	2	115.7390	1.069	2	115.7390	1.069	2	119.8274	2.486	33	119.9725	3.127	34
762	206	818	6:SP2_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:1:	3:3:	3:3:2:	C[5,6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6])(F)	C[6](C[6]C[5,6]F)(C[6]C[6]F)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]F)(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6])(F){1|C<2>,1|C<3>,1|F<1>,1|N<3>}	C[6](C[6]C[5,6]F)(C[6]C[6]F){1|C<3>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]F)(S[5]C[5]){1|Ir<6>,2|C<3>}	120.2300	0.000	1	120.2300	0.000	1	120.2300	0.000	1	117.8680	11.158	2	117.3311	9.102	9	117.3311	9.102	9
762	206	818	6:SP2_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:1:	3:3:	3:3:2:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	115.5060	0.000	1	115.5060	0.000	1	115.5060	0.000	1	117.8680	11.158	2	117.3311	9.102	9	117.3311	9.102	9
762	206	818	6:SP2_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:1:	3:3:	3:3:3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(N[5]C[5]H){1|C<3>,3|H<1>}	120.0410	0.000	1	120.0410	0.000	1	120.0410	0.000	1	118.5675	0.975	4	117.3311	9.102	9	117.3311	9.102	9
762	206	818	6:SP2_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:1:	3:3:	3:3:3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Cu)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]Cu)(C[6]C[6]H){1|C<3>,1|S<2>,2|H<1>}	117.9440	0.000	1	117.9440	0.000	1	118.0210	0.012	2	118.5675	0.975	4	117.3311	9.102	9	117.3311	9.102	9
762	206	818	6:SP2_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:1:	3:3:	3:3:3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5,6]-3:N[5]-3:C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Pt)(C[6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Pt)(C[6]C[6]H){1|H<1>,2|C<3>}	118.0980	0.000	1	118.0980	0.000	1	118.0210	0.012	2	118.5675	0.975	4	117.3311	9.102	9	117.3311	9.102	9
762	206	818	6:SP2_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:1:	3:3:	3:3:3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6])(H){1|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]H){1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	118.1870	0.000	1	118.1870	0.000	1	118.1870	0.000	1	118.5675	0.975	4	117.3311	9.102	9	117.3311	9.102	9
762	206	818	6:SP2_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:1:	3:3:	3:4:3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5,6,6a]-3:C[5]-4:C[6]-3:	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]CH)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]H){1|C<4>,2|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]CH)(C[6]C[6]H){1|H<1>,4|C<3>}	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	117.3311	9.102	9	117.3311	9.102	9
762	206	818	6:SP2_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:1:	3:3:	4:3:3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	C[5,6](C[5,5]C[5,5]P[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6])(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5]C[5,5]P[5]H)(C[5,6]C[5]C[6])(C[6]C[6]H){2|C<3>,2|P<3>,3|H<1>}	118.8430	0.000	1	118.8430	0.000	1	118.8430	0.000	1	118.8430	0.000	1	117.3311	9.102	9	117.3311	9.102	9
762	206	818	6:SP2_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:2:	3:2:	4:3:2:	C[5,6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[5,6]-4:C[6]-3:C[5]-2:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6])(CC)	C[6](C[6]C[5,6]C)(C[6]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(C[5]C[5])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6])(CC){2|C<2>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]){1|C<2>,1|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(C[5]C[5]){1|C<2>,1|C<4>}	110.2950	0.000	1	110.2950	0.000	1	110.2950	0.000	1	110.2950	0.000	1	117.3311	9.102	9	117.3311	9.102	9
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:F-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)(C[6]C[6])	F(C[6]C[6]2)	C[6](C[6]C[6])2(F){1|C<2>}	C[6](C[6]C[6]F)(C[6]C[6]){1|C<2>}	F(C[6]C[6]2)	119.3340	2.447	2	118.0576	1.836	11	118.0576	1.836	11	118.0576	1.836	11	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:F-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)(C[6]C[6])	F(C[6]C[6]2)	C[6](C[6]C[6])2(F){1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]){1|C<3>,1|C<4>}	F(C[6]C[6]2)	115.4780	0.000	1	118.0576	1.836	11	118.0576	1.836	11	118.0576	1.836	11	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:F-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)(C[6]C[6])	F(C[6]C[6]2)	C[6](C[6]C[6])2(F){1|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]){1|Au<2>,1|C<2>}	F(C[6]C[6]2)	118.5840	0.522	2	118.0576	1.836	11	118.0576	1.836	11	118.0576	1.836	11	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:F-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)(C[6]C[6])	F(C[6]C[6]2)	C[6](C[6]C[6])2(F){1|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]){1|Au<4>,1|C<2>}	F(C[6]C[6]2)	118.2665	0.511	2	118.0576	1.836	11	118.0576	1.836	11	118.0576	1.836	11	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:F-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)(C[6]C[6])	F(C[6]C[6]2)	C[6](C[6]C[6])2(F){1|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]){1|C<2>,1|C<3>}	F(C[6]C[6]2)	117.6967	0.504	4	118.0576	1.836	11	118.0576	1.836	11	118.0576	1.836	11	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:F-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6])(F)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]F)	F(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6])(F){1|C<3>,1|F<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]F){1|Ir<6>,1|S<2>,2|C<3>}	F(C[6]C[6]2)	116.3400	0.000	1	116.3400	0.000	1	116.3400	0.000	1	118.1147	8.657	3	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6])(F)	C[6](C[6]C[5,6]F)(C[6]C[6]F)	F(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6])(F){1|C<3>,1|F<1>,1|N<3>}	C[6](C[6]C[5,6]F)(C[6]C[6]F){1|C<3>,1|S<2>}	F(C[6]C[6]2)	116.4930	0.000	1	116.4930	0.000	1	119.0020	12.590	2	118.1147	8.657	3	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)2	F(C[6]C[6]2)	C[6](C[6]C[6])2(F){1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2{1|C<2>,1|C<4>}	F(C[6]C[6]2)	121.5110	0.000	1	121.5110	0.000	1	119.0020	12.590	2	118.1147	8.657	3	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	3:2:1:	3:3:	3:	C[5,6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6])(F)	C[6](C[6]C[5,6]F)(C[6]C[6]F)	F(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6])(F){1|C<2>,1|C<3>,1|F<1>,1|N<3>}	C[6](C[6]C[5,6]F)(C[6]C[6]F){1|C<3>,1|S<2>}	F(C[6]C[5,6]C[6])	122.2630	0.000	1	122.2630	0.000	1	122.2630	0.000	1	118.6666	13.664	27	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6]H)	F(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	F(C[6]C[6]2)	115.9310	0.000	1	115.9310	0.000	1	118.5283	13.674	26	118.6666	13.664	27	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]F)2	F(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(F){1|C<2>,1|F<1>}	C[6](C[6]C[6]F)2{1|C<2>,1|C<4>}	F(C[6]C[6]2)	114.7330	0.000	1	111.2890	23.722	2	118.5283	13.674	26	118.6666	13.664	27	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]F)2	F(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)2{1|C<3>,1|C<4>,1|F<1>}	F(C[6]C[6]2)	107.8450	0.000	1	111.2890	23.722	2	118.5283	13.674	26	118.6666	13.664	27	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]F)2	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]C[6])(F){1|C<2>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2{1|C<3>,2|F<1>}	F(C[6]C[6]2)	119.2985	0.197	2	120.0348	9.227	16	118.5283	13.674	26	118.6666	13.664	27	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]F)2	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)2{1|C<3>,1|C<4>,1|F<1>}	F(C[6]C[6]2)	109.0290	0.000	1	120.0348	9.227	16	118.5283	13.674	26	118.6666	13.664	27	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]F)2	F(C[6]C[6]2)	C[6](C[6]C[6]F)(C[6]C[6])(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2{1|C<3>,2|F<1>}	F(C[6]C[6]2)	120.9946	0.590	13	120.0348	9.227	16	118.5283	13.674	26	118.6666	13.664	27	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6]H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	F(C[6]C[6]2)	119.1300	0.000	1	118.9283	0.051	3	118.5283	13.674	26	118.6666	13.664	27	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6]H)	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H){1|C<3>,1|H<1>,1|P<4>}	F(C[6]C[6]2)	118.8275	0.202	2	118.9283	0.051	3	118.5283	13.674	26	118.6666	13.664	27	118.4629	9.856	41	118.4629	9.856	41
762	206	830	0:SP2_SP-NON_SP1	C[6]	C[6]	F	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]F)2	F(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)2{1|C<3>,2|H<1>}	F(C[6]C[6]2)	116.4715	2.186	4	116.4715	4.777	4	118.5283	13.674	26	118.6666	13.664	27	118.4629	9.856	41	118.4629	9.856	41
762	206	849	0:SP2_SP1_SP3	C[6,6]	C[6]	P[6]	3:4:2:	3:3:	3:2:2:1:	C[6,6,6a]-3:P[6]-4:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:S[6]-2:S-2:S-1:	C[6,6](C[6,6,6a]C[6,6a]2)(P[6]S[6]SS)(C[6]C[6])	C[6](C[6,6]C[6,6,6a]P[6])(C[6]C[6]H)	P[6](C[6,6]C[6,6,6a]C[6])(S[6]P[6])(SSi)(S)	C[6,6](C[6,6,6a]C[6,6a]2)(P[6]S[6]SS)(C[6]C[6]){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6]C[6,6,6a]P[6])(C[6]C[6]H){1|H<1>,1|S<1>,2|C<3>,2|S<2>}	P[6](C[6,6]C[6,6,6a]C[6])(S[6]P[6])(SSi)(S){1|N<3>,1|S<1>,3|C<3>}	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1
762	206	856	0:SP2_SP1_SP2	C[6,6]	C[6]	N[6]	3:3:2:	3:3:	3:3:4:	C[6,6]-3:N[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(C[6]C[6])	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(CH3)	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(C[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(CH3){1|H<1>,5|C<3>}	120.5760	0.000	1	120.5760	0.000	1	120.5760	0.000	1	120.5760	0.000	1	120.5760	0.000	1	119.1410	2.703	3
762	206	856	0:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:2:	3:3:	3:4:4:	N[6]-3:C[6]-2:N[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6]2)(C[6]C[6])(N[6]C[6])	C[6](C[6]C[6]H)(C[6]N[6]2)	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	C[6](N[6]C[6]2)(C[6]C[6])(N[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	117.3470	0.000	1	117.3470	0.000	1	117.3470	0.000	1	117.3470	0.000	1	118.4235	2.318	2	119.1410	2.703	3
762	206	856	0:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:	3:3:3:	C[6]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6]Br)	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6]2)(C[6]C[6]){1|Br<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br){2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O){2|H<1>,3|C<3>}	119.5000	0.000	1	119.5000	0.000	1	119.5000	0.000	1	119.5000	0.000	1	118.4235	2.318	2	119.1410	2.703	3
762	206	856	0:SP2_SP1_SP3	C[6]	C[6]	N[6]	3:2:2:	3:2:	4:3:3:	N[6]-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	S[6]-4:C[6]-3:C[6]-3:	C[6](N[6]C[6]S[6])(C[6]C[6])2	C[6](C[6]C[6]N[6])(C[6]C[6])	N[6](S[6]C[6,6]OO)(C[6]C[6]2)2	C[6](N[6]C[6]S[6])(C[6]C[6])2{1|C<2>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>,1|S<4>}	N[6](S[6]C[6,6]OO)(C[6]C[6]2)2{1|C<3>,5|C<2>}	120.1375	0.839	2	120.1375	0.704	2	120.1375	0.704	2	120.1375	0.704	2	120.1375	0.704	2	120.1375	0.704	2
762	206	856	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:1:	3:3:	3:2:1:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](N[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](N[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<2>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	119.5480	0.000	1	119.5480	0.000	1	119.5480	0.000	1	119.5480	0.000	1	119.5311	1.138	16	119.5311	1.138	16
762	206	856	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:1:	3:3:	3:3:1:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[6](N[6]C[5a,6]H)(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H){1|H<1>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){4|C<3>}	120.8700	0.000	1	120.8700	0.000	1	120.8700	0.000	1	119.7598	2.393	5	119.5311	1.138	16	119.5311	1.138	16
762	206	856	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:1:	3:3:	3:3:1:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](N[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	119.7020	2.182	2	119.9690	2.595	3	119.4823	2.678	4	119.7598	2.393	5	119.5311	1.138	16	119.5311	1.138	16
762	206	856	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:1:	3:3:	3:3:1:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](N[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.5030	0.000	1	119.9690	2.595	3	119.4823	2.678	4	119.7598	2.393	5	119.5311	1.138	16	119.5311	1.138	16
762	206	856	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:1:	3:3:	3:3:1:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(H)	C[6](N[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	118.0220	0.000	1	118.0220	0.000	1	119.4823	2.678	4	119.7598	2.393	5	119.5311	1.138	16	119.5311	1.138	16
762	206	856	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:1:	3:3:	3:3:3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](N[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(CN[6]H)	C[6](N[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CN[6]H){1|C<3>,1|H<1>}	119.6310	0.000	1	119.6310	0.000	1	119.6310	0.000	1	119.6310	0.000	1	119.5311	1.138	16	119.5311	1.138	16
762	206	856	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:1:	3:3:	3:3:4:	N[6]-3:C[6]-2:D-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]C)(C[6]C[6])(D)	C[6](C[6]C[6]D)(C[6]N[6]D)	N[6](C[6]C[6]D)2(CC[6a]HH)	C[6](N[6]C[6]C)(C[6]C[6])(D){1|C<3>,2|D<1>}	C[6](C[6]C[6]D)(C[6]N[6]D){1|C<3>,1|C<4>,1|D<1>}	N[6](C[6]C[6]D)2(CC[6a]HH){1|C<3>,1|D<1>}	120.3270	0.000	1	120.3270	0.000	1	120.3270	0.000	1	119.6392	0.639	6	119.5311	1.138	16	119.5311	1.138	16
762	206	856	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:1:	3:3:	3:3:4:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H)	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](N[6]C[6]C)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>}	120.2290	0.000	1	120.2290	0.000	1	119.5016	0.657	5	119.6392	0.639	6	119.5311	1.138	16	119.5311	1.138	16
762	206	856	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:1:	3:3:	3:3:4:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](N[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)2(CN[6]HH)	C[6](N[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CN[6]HH){1|C<3>,1|H<1>}	119.3197	0.810	4	119.3197	0.656	4	119.5016	0.657	5	119.6392	0.639	6	119.5311	1.138	16	119.5311	1.138	16
762	206	856	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:4:	3:2:	4:3:2:	N[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:	B[5]-4:C[6]-3:C[6]-2:	C[6](N[6]B[5]C[6])(C[6]C[6])(CB[5]HH)	C[6](C[6]N[6]C)(C[6]C[6])	N[6](B[5]C[5,6a]2C)(C[6]C[6]C)(C[6]C[6])	C[6](N[6]B[5]C[6])(C[6]C[6])(CB[5]HH){1|C<2>,1|C<4>,2|C<3>}	C[6](C[6]N[6]C)(C[6]C[6]){1|B<4>,1|C<2>}	N[6](B[5]C[5,6a]2C)(C[6]C[6]C)(C[6]C[6]){1|C<2>,4|C<3>}	119.1490	0.000	1	119.1490	0.000	1	119.1490	0.000	1	119.1490	0.000	1	119.5311	1.138	16	119.5311	1.138	16
762	206	856	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:4:	3:3:	3:3:1:	N[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	117.6180	0.000	1	117.6180	0.000	1	117.6180	0.000	1	117.6180	0.000	1	119.5311	1.138	16	119.5311	1.138	16
762	206	856	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:3:2:	3:3:	3:2:1:	C[6a]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]N[6])(C[6]C[6]H)	N[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>}	119.9180	0.000	1	119.9180	0.000	1	119.9180	0.000	1	119.9180	0.000	1	119.5311	1.138	16	119.5311	1.138	16
762	206	856	6:SP2_SP1_SP3	C[6]	C[6]	N[6]	3:2:3:	3:3:	4:3:3:	N[6]-3:C[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:	S[6]-4:C[6]-3:C[6]-3:	C[6](N[6]C[6]S[6])(C[6]C[6,6])(C[6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6])	N[6](S[6]C[6,6]OO)(C[6]C[6]2)2	C[6](N[6]C[6]S[6])(C[6]C[6,6])(C[6]C[6]2){1|C<3>,2|O<1>,5|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6]){1|C<3>,1|S<4>,4|C<2>}	N[6](S[6]C[6,6]OO)(C[6]C[6]2)2{1|C<3>,5|C<2>}	120.3600	0.000	1	120.3600	0.000	1	120.3600	0.000	1	120.3600	0.000	1	120.3600	0.000	1	120.3600	0.000	1
762	206	863	0:SP2_SP1_SP2	C[6]	C[6]	O	2:2:1:	2:3:	3:	N[6]-2:C[6]-2:O-1:	C[6]-2:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6])(C[6]C[6])(O)	C[6](C[6]N[5,6])(C[6]N[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6])(C[6]C[6])(O){2|N<3>}	C[6](C[6]N[5,6])(C[6]N[6]O){1|C<3>,1|N<2>}	O(C[6]C[6]N[6])	120.6825	1.009	2	120.6825	1.018	2	120.6825	1.018	2	120.6825	1.018	2	119.6578	31.363	12	119.6578	31.363	12
762	206	863	0:SP2_SP1_SP2	C[6]	C[6]	O	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:O-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)	O(C[6]C[6]2)	C[6](C[6]C[6])2(O){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O){2|C<3>}	O(C[6]C[6]2)	111.6040	0.000	1	111.6040	0.000	1	109.0210	13.344	2	109.0210	13.344	2	119.6578	31.363	12	119.6578	31.363	12
762	206	863	0:SP2_SP1_SP2	C[6]	C[6]	O	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:O-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(O)	C[6](C[6]C[6]O)2	O(C[6]C[6]2)	C[6](C[6]C[6])2(O){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)2{2|C<3>}	O(C[6]C[6]2)	106.4380	0.000	1	106.4380	0.000	1	109.0210	13.344	2	109.0210	13.344	2	119.6578	31.363	12	119.6578	31.363	12
762	206	863	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:1:	3:3:	3:	C[6,6]-3:C[6]-2:O-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(O)	C[6](C[6]C[6,6]O)(C[6]C[6]N)	O(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(O){1|C<3>,1|N<3>,2|C<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]N){1|C<2>,1|C<3>,1|O<2>}	O(C[6]C[6,6]C[6])	123.4660	0.000	1	123.4660	0.000	1	123.4660	0.000	1	122.3510	8.557	7	119.6578	31.363	12	119.6578	31.363	12
762	206	863	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:O-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(O){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<2>,1|C<3>,1|H<1>}	O(C[6]C[6]2)	118.3710	0.000	1	118.3710	0.000	1	120.9922	2.153	5	122.3510	8.557	7	119.6578	31.363	12	119.6578	31.363	12
762	206	863	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:O-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)	O(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(O){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]2)	121.6080	0.000	1	121.6080	0.000	1	120.9922	2.153	5	122.3510	8.557	7	119.6578	31.363	12	119.6578	31.363	12
762	206	863	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:O-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(O){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<2>,1|H<1>,1|O<1>}	O(C[6]C[6]2)	121.5990	0.000	2	121.5990	0.000	2	120.9922	2.153	5	122.3510	8.557	7	119.6578	31.363	12	119.6578	31.363	12
762	206	863	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:O-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(O)	C[6](C[6]C[6]O[6])(C[6]C[6]O)	O(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	O(C[6]C[6]2)	121.7840	0.000	1	121.7840	0.000	1	120.9922	2.153	5	122.3510	8.557	7	119.6578	31.363	12	119.6578	31.363	12
762	206	863	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:1:	3:3:	3:	N[5,6]-3:C[6]-2:O-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6])(O)	C[6](C[6]N[5,6]O)(C[6]N[6]C)	O(C[6]N[5,6]C[6])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6])(O){1|C<1>,1|C<2>,2|N<2>}	C[6](C[6]N[5,6]O)(C[6]N[6]C){1|C<3>,1|N<2>}	O(C[6]N[5,6]C[6])	128.0300	0.000	1	128.0300	0.000	1	128.0300	0.000	1	122.3510	8.557	7	119.6578	31.363	12	119.6578	31.363	12
762	206	863	0:SP2_SP1_SP2	C[6]	C[6]	O	4:2:1:	3:3:	3:	C[6,6]-4:C[6]-2:O-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6])(O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)	O(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6])(O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O){1|H<1>,1|O<2>,6|C<4>}	O(C[6]C[6,6]C[6])	120.0300	0.000	1	120.0300	0.000	1	120.0300	0.000	1	120.0300	0.000	1	119.6578	31.363	12	119.6578	31.363	12
762	206	880	0:SP2_SP1_SP3	C[6]	C[6]	Si	2:2:4:	3:2:	3:2:1:1:	C[6]-2:C[6]-2:Si-4:	C[6]-3:C[6]-2:	C[6]-3:O-2:C-1:C-1:	C[6](C[6]C[6])2(SiCCO)	C[6](C[6]C[6]Si)(C[6]C[6])	Si(C[6]C[6]2)(OSi)(C)2	C[6](C[6]C[6])2(SiCCO){1|C<3>}	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>,1|C<3>}	Si(C[6]C[6]2)(OSi)(C)2	121.4540	0.927	4	121.4540	0.859	4	121.4540	0.859	4	121.4540	0.859	4	121.2517	2.078	15	121.2517	2.078	15
762	206	880	0:SP2_SP1_SP3	C[6]	C[6]	Si	4:2:2:	3:2:	3:3:2:1:	Si-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:O-2:C-1:	C[6](SiC[6]CO)(C[6]C[6])2	C[6](C[6]C[6]Si)(C[6]C[6])	Si(C[6]C[6]2)2(ORe)(C)	C[6](SiC[6]CO)(C[6]C[6])2{1|C<2>}	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>}	Si(C[6]C[6]2)2(ORe)(C)	121.5537	1.113	4	121.5537	1.239	4	121.5537	1.239	4	121.5537	1.239	4	121.2517	2.078	15	121.2517	2.078	15
762	206	880	0:SP2_SP1_SP3	C[6]	C[6]	Si	4:2:2:	3:2:	3:3:3:2:	Si-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C[6]-3:O-2:	C[6](SiC[6]2O)(C[6]C[6])2	C[6](C[6]C[6]Si)(C[6]C[6])	Si(C[6]C[6]2)3(OAl)	C[6](SiC[6]2O)(C[6]C[6])2{1|C<2>}	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>}	Si(C[6]C[6]2)3(OAl)	121.1483	2.013	6	121.1483	4.051	6	121.1483	4.051	6	121.1483	4.051	6	121.2517	2.078	15	121.2517	2.078	15
762	206	880	0:SP2_SP1_SP3	C[6]	C[6]	Si	4:3:2:	3:3:	3:3:3:4:	Si-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:C-4:	C[6](SiC[6a]2C)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]Si)(C[6]C[6]H)	Si(C[6a]C[6a]2)2(C[6]C[6]2)(CCeCC)	C[6](SiC[6a]2C)(C[6]C[6]H)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H){1|C<3>,1|H<1>}	Si(C[6a]C[6a]2)2(C[6]C[6]2)(CCeCC)	119.8540	0.000	1	119.8540	0.000	1	119.8540	0.000	1	119.8540	0.000	1	121.2517	2.078	15	121.2517	2.078	15
762	206	887	0:SP2_SP1_SP3	C[6]	C[6]	S	3:2:3:	3:3:	3:4:1:	C[6]-3:C[6]-2:S-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(SCO)	C[6](C[6]C[6]H)(C[6]C[6]S)	S(C[6]C[6]2)(CC[6a]HH)(O)	C[6](C[6]C[6]H)(C[6]C[6])(SCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,2|H<1>}	S(C[6]C[6]2)(CC[6a]HH)(O)	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1
762	206	892	0:SP2_SP1_SP3	C[6]	C[6]	N	2:2:4:	3:2:	3:1:1:1:	C[6]-2:C[6]-2:N-4:	C[6]-3:C[6]-2:	C[6]-3:C-1:C-1:C-1:	C[6](C[6]C[6])2(NC3)	C[6](C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)(C)3	C[6](C[6]C[6])2(NC3){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	N(C[6]C[6]2)(C)3	119.0395	1.740	2	119.0395	3.028	2	119.0395	3.028	2	119.0395	3.028	2	113.8109	51.626	9	113.8109	51.626	9
762	206	892	0:SP2_SP1_SP3	C[6]	C[6]	N	3:2:4:	3:2:	3:1:1:1:	C[6]-3:C[6]-2:N-4:	C[6]-3:C[6]-2:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]N)(C[6]C[6])(NH3)	C[6](C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]N)(C[6]C[6])(NH3){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|N<4>}	N(C[6]C[6]2)(H)3	107.3769	6.042	4	107.3769	36.510	4	107.3769	36.510	4	107.3769	36.510	4	113.8109	51.626	9	113.8109	51.626	9
762	206	892	0:SP2_SP1_SP3	C[6]	C[6]	N	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:N-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6])(NH3)	C[6](C[6]C[6]C)(C[6]C[6]N)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]C)(C[6]C[6])(NH3){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|N<4>}	N(C[6]C[6]2)(H)3	117.6710	0.000	1	117.6710	0.000	1	118.9037	1.189	3	118.9037	1.189	3	113.8109	51.626	9	113.8109	51.626	9
762	206	892	0:SP2_SP1_SP3	C[6]	C[6]	N	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:N-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(NH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,1|H<1>,1|N<4>}	N(C[6]C[6]2)(H)3	119.2970	0.000	1	119.5200	0.099	2	118.9037	1.189	3	118.9037	1.189	3	113.8109	51.626	9	113.8109	51.626	9
762	206	892	0:SP2_SP1_SP3	C[6]	C[6]	N	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:N-4:	C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N)	N(C[6]C[6]2)(H)3	C[6](C[6]C[6]H)(C[6]C[6])(NH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>}	N(C[6]C[6]2)(H)3	119.7430	0.000	1	119.5200	0.099	2	118.9037	1.189	3	118.9037	1.189	3	113.8109	51.626	9	113.8109	51.626	9
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	2:2:2:	2:3:	3:1:	C[6]-2:C[6]-2:O-2:	C[6]-2:C[6]-3:	C[6]-3:C-1:	C[6](C[6]C[6,6])(C[6]C[6])(OC)	C[6](C[6]C[6,6])(C[6]C[6]O)	O(C[6]C[6]2)(C)	C[6](C[6]C[6,6])(C[6]C[6])(OC){1|C<2>,1|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]O){2|C<3>}	O(C[6]C[6]2)(C)	115.2040	0.000	1	115.2040	0.000	1	115.2040	0.000	1	115.2040	0.000	1	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	2:2:2:	3:2:	3:1:	C[6]-2:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C-1:	C[6](C[6]C[6])2(OC)	C[6](C[6]C[6]O)(C[6]C[6])	O(C[6]C[6]2)(C)	C[6](C[6]C[6])2(OC){1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<4>}	O(C[6]C[6]2)(C)	120.2530	5.194	4	120.0849	20.954	24	120.0849	20.954	24	120.0849	20.954	24	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	2:2:2:	3:2:	3:1:	C[6]-2:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C-1:	C[6](C[6]C[6])2(OC)	C[6](C[6]C[6]O)(C[6]C[6])	O(C[6]C[6]2)(C)	C[6](C[6]C[6])2(OC){1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|N<2>}	O(C[6]C[6]2)(C)	120.0870	5.119	4	120.0849	20.954	24	120.0849	20.954	24	120.0849	20.954	24	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	2:2:2:	3:2:	3:1:	C[6]-2:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C-1:	C[6](C[6]C[6])2(OC)	C[6](C[6]C[6]O)(C[6]C[6])	O(C[6]C[6]2)(C)	C[6](C[6]C[6])2(OC){1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|N<3>}	O(C[6]C[6]2)(C)	120.1431	4.955	8	120.0849	20.954	24	120.0849	20.954	24	120.0849	20.954	24	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	2:2:2:	3:2:	3:1:	C[6]-2:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C-1:	C[6](C[6]C[6])2(OC)	C[6](C[6]C[6]O)(C[6]C[6])	O(C[6]C[6]2)(C)	C[6](C[6]C[6])2(OC){1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|P<4>}	O(C[6]C[6]2)(C)	119.9332	4.562	6	120.0849	20.954	24	120.0849	20.954	24	120.0849	20.954	24	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	2:2:2:	3:2:	3:1:	C[6]-2:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C-1:	C[6](C[6]C[6])2(OC)	C[6](C[6]C[6]O)(C[6]C[6])	O(C[6]C[6]2)(C)	C[6](C[6]C[6])2(OC){1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6]){2|C<2>}	O(C[6]C[6]2)(C)	119.9670	6.794	2	120.0849	20.954	24	120.0849	20.954	24	120.0849	20.954	24	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	2:2:2:	3:3:	3:1:	C[6]-2:C[6]-2:O-2:	C[6,6]-3:C[6]-3:	C[6]-3:C-1:	C[6](C[6]C[6,6])(C[6]C[6])(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	O(C[6]C[6]2)(C)	C[6](C[6]C[6,6])(C[6]C[6])(OC){1|C<2>,1|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,2|C<2>}	O(C[6]C[6]2)(C)	124.3530	0.000	1	124.3530	0.000	1	124.3530	0.000	1	124.3530	0.000	1	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	2:3:2:	3:3:	3:1:	C[6]-2:C[6]-3:O-2:	C[5,6]-3:C[6]-3:	C[6]-3:H-1:	C[6](C[6]C[5,6])(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]O)	O(C[6]C[6]2)(H)	C[6](C[6]C[5,6])(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>}	O(C[6]C[6]2)(H)	117.5800	0.000	1	117.5800	0.000	1	117.5800	0.000	1	122.6187	19.042	3	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	2:3:2:	3:3:	3:1:	C[6]-2:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:	C[6]-3:C-1:	C[6](C[6]C[6,6a])(C[6]C[6]O)(OC)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]O)	O(C[6]C[6]2)(C)	C[6](C[6]C[6,6a])(C[6]C[6]O)(OC){2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]O){1|C<2>,1|O<2>,1|S<2>,2|C<3>}	O(C[6]C[6]2)(C)	125.1380	0.052	2	125.1380	0.003	2	125.1380	0.003	2	122.6187	19.042	3	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	2:3:2:	3:3:	3:4:	C[6]-2:C[6]-3:O-2:	C[6,6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6,6])(C[6]C[6]O)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	O(C[6]C[6]2)(CH3)	C[6](C[6]C[6,6])(C[6]C[6]O)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[6]2)(CH3)	125.1610	0.000	1	125.1610	0.000	1	125.1610	0.000	1	125.1610	0.000	1	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:2:	3:1:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C-1:	C[6](C[6]C[6]N)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6])	O(C[6]C[6]2)(C)	C[6](C[6]C[6]N)(C[6]C[6])(OC){1|C<2>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<3>,1|N<3>}	O(C[6]C[6]2)(C)	124.6165	0.408	2	124.6165	0.166	2	124.6165	0.166	2	124.6165	0.166	2	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:2:	3:2:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C-2:	C[6](C[6]C[6]Cl)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6])	O(C[6]C[6]2)(CC)	C[6](C[6]C[6]Cl)(C[6]C[6])(OC){1|C<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|Cl<1>,1|C<2>}	O(C[6]C[6]2)(CC)	124.5705	0.276	2	124.5705	0.076	2	123.1054	6.700	5	123.1054	6.700	5	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:2:	3:2:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C-2:	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6])	O(C[6]C[6]2)(CC)	C[6](C[6]C[6]O)(C[6]C[6])(OC){1|C<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|O<2>}	O(C[6]C[6]2)(CC)	122.7320	0.000	1	122.1287	9.784	3	123.1054	6.700	5	123.1054	6.700	5	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:2:	3:2:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C-2:	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6])	O(C[6]C[6]2)(CC)	C[6](C[6]C[6]O)(C[6]C[6])(OC){2|C<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<3>,1|O<1>}	O(C[6]C[6]2)(CC)	121.8270	4.361	2	122.1287	9.784	3	123.1054	6.700	5	123.1054	6.700	5	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:2:	3:4:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6])	O(C[6]C[6]2)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6])(OC){1|C<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>}	O(C[6]C[6]2)(CCHH)	125.6380	0.587	2	125.6380	0.344	2	125.6380	0.344	2	123.2100	17.858	3	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:2:	3:4:	C[6]-3:C[6]-2:O-2:	C[6]-3:N[6]-2:	C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6])(OC)	C[6](C[6]C[6]O)(N[6]C[6])	O(C[6]C[6]2)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6])(OC){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]2)(CHHO)	118.3540	0.000	1	118.3540	0.000	1	118.3540	0.000	1	123.2100	17.858	3	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:3:	3:1:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:H-1:	C[6](C[6]C[4a]C[6])(C[6]C[6])(OH)	C[6](C[6]C[6]N[5])(C[6]C[6]O)	O(C[6]C[6]2)(H)	C[6](C[6]C[4a]C[6])(C[6]C[6])(OH){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6]2)(H)	115.5050	0.000	1	115.5050	0.000	1	113.4436	12.478	5	114.3718	15.152	6	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:3:	3:1:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6])(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6])(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>}	O(C[6]C[6]2)(H)	111.8370	1.708	2	111.8370	2.919	2	113.4436	12.478	5	114.3718	15.152	6	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:3:	3:1:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6])(OH)	C[6](C[6]C[6]O)2	O(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6])(OH){1|O<1>,2|C<2>}	C[6](C[6]C[6]O)2{2|C<3>}	O(C[6]C[6]2)(H)	109.7230	0.000	1	109.7230	0.000	1	113.4436	12.478	5	114.3718	15.152	6	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:3:	3:1:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:H-1:	C[6](C[6]C[6]S)(C[6]C[6])(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[6]2)(H)	C[6](C[6]C[6]S)(C[6]C[6])(OH){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<2>,1|S<3>}	O(C[6]C[6]2)(H)	118.3160	0.000	1	118.3160	0.000	1	113.4436	12.478	5	114.3718	15.152	6	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:3:	3:1:	C[6]-3:C[6]-2:O-2:	C[6]-3:N[6]-3:	C[6]-3:H-1:	C[6](C[6]N[6]C)(C[6]N[6])(OH)	C[6](C[6]C[6]O)(N[6]C[6]C)	O(C[6]C[6]2)(H)	C[6](C[6]N[6]C)(C[6]N[6])(OH){1|C<3>,1|C<4>}	C[6](C[6]C[6]O)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>}	O(C[6]C[6]2)(H)	119.0130	0.000	1	119.0130	0.000	1	119.0130	0.000	1	114.3718	15.152	6	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:3:	3:4:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[6]2)(CH3)	C[6](C[6]C[6]2)(C[6]C[6])(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|C<3>}	O(C[6]C[6]2)(CH3)	122.9430	0.000	1	122.9430	0.000	1	120.1954	20.862	8	120.4359	17.203	10	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:3:	3:4:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6])(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)	O(C[6]C[6]2)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6])(OC){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O){1|C<2>,1|C<3>,1|O<2>}	O(C[6]C[6]2)(CCHH)	124.6610	0.000	1	124.6610	0.000	1	120.1954	20.862	8	120.4359	17.203	10	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:3:	3:4:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[6]2)(CCHH)	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>}	O(C[6]C[6]2)(CCHH)	114.7890	0.000	1	114.7890	0.000	1	120.1954	20.862	8	120.4359	17.203	10	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:3:	3:4:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[6]2)(CF3)	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>}	O(C[6]C[6]2)(CF3)	118.4290	0.000	1	118.4290	0.000	1	120.1954	20.862	8	120.4359	17.203	10	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:3:	3:4:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[6]2)(CH3)	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	O(C[6]C[6]2)(CH3)	115.5730	0.000	1	118.6790	29.486	3	120.1954	20.862	8	120.4359	17.203	10	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:3:	3:4:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[6]2)(CH3)	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|C<3>}	O(C[6]C[6]2)(CH3)	120.2320	6.671	2	118.6790	29.486	3	120.1954	20.862	8	120.4359	17.203	10	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:3:	3:4:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]2)(C[6]C[6]O)	O(C[6]C[6]2)(CH3)	C[6](C[6]C[6]O)(C[6]C[6])(OC){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]2)(CH3)	124.7040	0.000	1	124.7040	0.000	1	120.1954	20.862	8	120.4359	17.203	10	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:3:	3:4:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:P-4:	C[6](C[6]C[6]H)(C[6]C[6])(OP)	C[6](C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[6]2)(PNOO)	C[6](C[6]C[6]H)(C[6]C[6])(OP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	O(C[6]C[6]2)(PNOO)	119.5990	0.000	1	119.5990	0.000	1	121.3980	6.473	2	120.4359	17.203	10	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	3:3:	3:4:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:	C[6]-3:P-4:	C[6](C[6]C[6a]C[6])(C[6]C[6])(OP)	C[6](C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[6]2)(PRuOO)	C[6](C[6]C[6a]C[6])(C[6]C[6])(OP){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>}	O(C[6]C[6]2)(PRuOO)	123.1970	0.000	1	123.1970	0.000	1	121.3980	6.473	2	120.4359	17.203	10	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	4:3:	3:4:	C[6]-3:C[6]-2:O-2:	C[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[6]2)(CH3)	C[6](C[6]C[6]O)(C[6]C[6])(OC){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]2)(CH3)	123.2170	0.000	1	123.2170	0.000	1	123.7710	0.614	2	123.7710	0.614	2	120.4678	21.626	58	120.4678	21.626	58
762	206	893	0:SP2_SP1_SP2	C[6]	C[6]	O	3:2:2:	4:3:	3:4:	C[6]-3:C[6]-2:O-2:	C[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]HS)(C[6]C[6]O)	O(C[6]C[6]2)(CH3)	C[6](C[6]C[6]O)(C[6]C[6])(OC){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]O){1|C<3>,1|O<2>,1|S<2>}	O(C[6]C[6]2)(CH3)	124.3250	0.000	1	124.3250	0.000	1	123.7710	0.614	2	123.7710	0.614	2	120.4678	21.626	58	120.4678	21.626	58
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)	C[6](C[6]C[6])2(C){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C(C[6]C[6]2)	120.1836	3.907	9	120.3467	4.176	38	120.3467	4.176	38	119.6268	10.607	41	119.7180	11.358	56	119.7180	11.358	56
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)	C[6](C[6]C[6])2(C){1|C<3>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|N<4>}	C(C[6]C[6]2)	118.9865	1.698	2	120.3467	4.176	38	120.3467	4.176	38	119.6268	10.607	41	119.7180	11.358	56	119.7180	11.358	56
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)	C[6](C[6]C[6])2(C){1|C<3>,1|S<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|S<3>}	C(C[6]C[6]2)	118.1240	0.000	1	120.3467	4.176	38	120.3467	4.176	38	119.6268	10.607	41	119.7180	11.358	56	119.7180	11.358	56
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)	C[6](C[6]C[6])2(C){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<1>,1|C<2>}	C(C[6]C[6]2)	120.0050	1.465	2	120.3467	4.176	38	120.3467	4.176	38	119.6268	10.607	41	119.7180	11.358	56	119.7180	11.358	56
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)	C[6](C[6]C[6])2(C){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|S<4>}	C(C[6]C[6]2)	120.6423	0.838	24	120.3467	4.176	38	120.3467	4.176	38	119.6268	10.607	41	119.7180	11.358	56	119.7180	11.358	56
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	2:2:1:	3:2:	3:	C[6]-2:N[6]-2:C-1:	C[6]-3:N[6]-2:	C[6]-3:	C[6](C[6]N[6])(N[6]C[6])(C)	C[6](C[6]N[6]C)(N[6]C[6])	C(C[6]C[6]N[6])	C[6](C[6]N[6])(N[6]C[6])(C){1|C<2>}	C[6](C[6]N[6]C)(N[6]C[6]){1|C<2>}	C(C[6]C[6]N[6])	110.5087	0.574	3	110.5087	0.329	3	110.5087	0.329	3	119.6268	10.607	41	119.7180	11.358	56	119.7180	11.358	56
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6]P)	C(C[6]C[6]2)	C[6](C[6]C[6])2(C){1|C<3>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]P){1|C<2>,1|N<4>}	C(C[6]C[6]2)	120.9360	1.570	2	120.9360	2.464	2	120.7674	3.608	5	121.0417	3.163	7	119.7180	11.358	56	119.7180	11.358	56
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6]S)	C(C[6]C[6]2)	C[6](C[6]C[6])2(C){1|C<3>,1|S<3>}	C[6](C[6]C[6]C)(C[6]C[6]S){1|C<2>,1|S<3>}	C(C[6]C[6]2)	121.9380	0.000	1	121.9380	0.000	1	120.7674	3.608	5	121.0417	3.163	7	119.7180	11.358	56	119.7180	11.358	56
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)	C[6](C[6]C[6])2(C){1|C<3>,2|C<1>}	C[6](C[6]C[6]C)2{1|Si<3>,1|C<3>}	C(C[6]C[6]2)	120.0135	3.067	2	120.0135	9.405	2	120.7674	3.608	5	121.0417	3.163	7	119.7180	11.358	56	119.7180	11.358	56
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	2:2:1:	3:3:	3:	N[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6])(C[6]C[6])(C)	C[6](C[6]N[5,6]C)(C[6]N[6]C)	C(C[6]C[6]N[6])	C[6](N[6]C[5,6])(C[6]C[6])(C){1|C<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5,6]C)(C[6]N[6]C){1|C<3>,1|N<2>}	C(C[6]C[6]N[6])	120.4570	0.000	1	120.4570	0.000	1	121.7275	3.228	2	121.0417	3.163	7	119.7180	11.358	56	119.7180	11.358	56
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	2:2:1:	3:3:	3:	N[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6])(C[6]C[6])(C)	C[6](C[6]N[5,6]O)(C[6]N[6]C)	C(C[6]C[6]N[6])	C[6](N[6]C[5,6])(C[6]C[6])(C){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]N[6]C){1|C<3>,1|N<2>}	C(C[6]C[6]N[6])	122.9980	0.000	1	122.9980	0.000	1	121.7275	3.228	2	121.0417	3.163	7	119.7180	11.358	56	119.7180	11.358	56
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:C-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(C)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(C){1|Pd<4>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C(C[6]C[6]2)	118.3770	0.000	1	118.3770	0.000	1	118.3770	0.000	1	120.7127	4.105	3	119.7180	11.358	56	119.7180	11.358	56
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	3:2:1:	3:2:	3:	N[6]-3:C[6]-2:C-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](N[6]C[6]Au)(C[6]C[6])(C)	C[6](C[6]N[6]C)(C[6]C[6])	C(C[6]C[6]N[6])	C[6](N[6]C[6]Au)(C[6]C[6])(C){1|C<1>,1|C<2>}	C[6](C[6]N[6]C)(C[6]C[6]){1|Au<4>,1|C<3>}	C(C[6]C[6]N[6])	121.8805	0.163	2	121.8805	0.027	2	121.8805	0.027	2	120.7127	4.105	3	119.7180	11.358	56	119.7180	11.358	56
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(C)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(C){1|C<1>,1|C<2>,1|C<4>}	C[6](C[6]C[6]C)2{2|C<3>}	C(C[6]C[6]2)	118.4545	0.426	2	118.4545	0.182	2	115.6665	10.931	4	118.0158	35.794	5	119.7180	11.358	56	119.7180	11.358	56
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Si)(C[6]C[6])(C)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)	C[6](C[6]C[6]Si)(C[6]C[6])(C){1|C<2>,2|C<1>}	C[6](C[6]C[6]C)2{1|Si<3>,1|C<3>}	C(C[6]C[6]2)	112.8785	1.232	2	112.8785	1.519	2	115.6665	10.931	4	118.0158	35.794	5	119.7180	11.358	56	119.7180	11.358	56
762	206	899	0:SP2_SP-NON_SP1	C[6]	C[6]	C	3:2:1:	3:3:	3:	N[5,6]-3:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6])(C)	C[6](C[6]N[5,6]C)(C[6]N[6]C)	C(C[6]N[5,6]C[6])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6])(C){1|C<1>,1|C<2>,2|N<2>}	C[6](C[6]N[5,6]C)(C[6]N[6]C){1|C<3>,1|N<2>}	C(C[6]N[5,6]C[6])	127.4130	0.000	1	127.4130	0.000	1	127.4130	0.000	1	118.0158	35.794	5	119.7180	11.358	56	119.7180	11.358	56
762	206	901	0:SP2_SP1_SP1	C[6]	C[6]	N	2:2:1:	3:2:	3:	C[6]-2:N[6]-2:N-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(N)	C[6](C[6]N[6]N)(C[6]N[6])	N(C[6]C[6]N[6])	C[6](C[6]C[6])(N[6]C[6])(N){1|N<2>,1|O<1>}	C[6](C[6]N[6]N)(C[6]N[6]){1|C<3>}	N(C[6]C[6]N[6])	121.3785	0.282	2	122.0587	1.428	3	122.0587	1.428	3	122.0587	1.428	3	121.8098	2.167	5	121.8098	2.167	5
762	206	901	0:SP2_SP1_SP1	C[6]	C[6]	N	2:2:1:	3:2:	3:	C[6]-2:N[6]-2:N-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(N)	C[6](C[6]N[6]N)(C[6]N[6])	N(C[6]C[6]N[6])	C[6](C[6]C[6])(N[6]C[6])(N){1|N<3>,1|O<1>}	C[6](C[6]N[6]N)(C[6]N[6]){2|C<3>}	N(C[6]C[6]N[6])	123.4190	0.000	1	122.0587	1.428	3	122.0587	1.428	3	122.0587	1.428	3	121.8098	2.167	5	121.8098	2.167	5
762	206	901	0:SP2_SP1_SP1	C[6]	C[6]	N	2:2:1:	3:3:	3:	C[6]-2:N[6]-2:N-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(N)	C[6](C[6]N[6]N)2	N(C[6]C[6]N[6])	C[6](C[6]C[6])(N[6]C[6])(N){1|N<1>,1|N<2>,1|S<2>}	C[6](C[6]N[6]N)2{1|C<3>}	N(C[6]C[6]N[6])	121.4365	2.313	2	121.4365	5.350	2	121.4365	5.350	2	121.4365	5.350	2	121.8098	2.167	5	121.8098	2.167	5
762	206	909	0:SP2_SP1_SP2	C[6]	C[6]	S	3:2:2:	3:3:	3:3:	N[6]-3:C[6]-2:S-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]Rh)(C[6]C[6])(SC[6])	C[6](C[6]C[6]H)(C[6]N[6]S)	S(C[6]C[6]N[6])2	C[6](N[6]C[6]Rh)(C[6]C[6])(SC[6]){1|C<2>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S){1|Rh<6>,1|C<3>}	S(C[6]C[6]N[6])2	114.6460	0.000	1	114.6460	0.000	1	114.6460	0.000	1	114.6460	0.000	1	114.6460	0.000	1	114.6460	0.000	1
762	206	914	0:SP2_SP1_SP2	C[6,6]	C[6]	N[6]	3:2:2:	3:3:	3:3:	C[6,6]-3:N[6]-2:C[6]-2:	C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a])(C[6]C[6])	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a])(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,4|C<3>}	119.1910	0.000	1	119.1910	0.000	1	119.1910	0.000	1	119.1910	0.000	1	119.1910	0.000	1	119.1910	0.000	1
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:1:	2:3:	3:3:	N[6]-2:C[6]-2:O-1:	C[6]-2:C[6]-3:	C[5,6]-3:C[6]-3:	C[6](N[6]C[5,6])(C[6]C[6])(O)	C[6](C[6]N[5,6])(C[6]N[6]O)	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]O)	C[6](N[6]C[5,6])(C[6]C[6])(O){2|N<3>}	C[6](C[6]N[5,6])(C[6]N[6]O){1|C<3>,1|N<2>}	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]O){1|Co<6>,1|N<2>,2|C<2>}	119.7230	0.516	2	119.7230	0.266	2	119.7230	0.266	2	119.7230	0.266	2	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:1:	3:2:	3:2:	C[6]-2:N[6]-2:C-1:	C[6]-3:N[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]N[6])(N[6]C[6])(C)	C[6](C[6]N[6]C)(N[6]C[6])	N[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]N[6])(N[6]C[6])(C){1|C<2>}	C[6](C[6]N[6]C)(N[6]C[6]){1|C<2>}	N[6](C[6]C[6]C)(C[6]C[6]){1|N<2>}	107.2310	1.084	3	107.2310	1.175	3	107.2310	1.175	3	111.3623	69.052	4	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:1:	3:2:	3:2:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])	N[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6])(H){1|C<3>}	C[6](C[6]N[6]H)(C[6]C[6]){1|C<2>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|H<1>}	123.7560	0.000	1	123.7560	0.000	1	123.7560	0.000	1	111.3623	69.052	4	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:1:	3:2:	3:3:	C[6]-2:N[6]-2:N-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(N)	C[6](C[6]N[6]N)(C[6]N[6])	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](C[6]C[6])(N[6]C[6])(N){1|N<2>,1|O<1>}	C[6](C[6]N[6]N)(C[6]N[6]){1|C<3>}	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<2>}	119.5395	0.999	2	118.7413	2.410	3	118.7413	2.410	3	118.7413	2.410	3	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:1:	3:2:	3:3:	C[6]-2:N[6]-2:N-1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(N)	C[6](C[6]N[6]N)(C[6]N[6])	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](C[6]C[6])(N[6]C[6])(N){1|N<3>,1|O<1>}	C[6](C[6]N[6]N)(C[6]N[6]){2|C<3>}	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<2>,1|C<3>}	117.1450	0.000	1	118.7413	2.410	3	118.7413	2.410	3	118.7413	2.410	3	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:1:	3:3:	3:2:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H)	N[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<3>,1|H<1>,2|C<2>}	N[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	125.2690	0.000	1	125.2690	0.000	1	125.2690	0.000	1	125.2690	0.000	1	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:1:	3:3:	3:3:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H)	N[6](C[6]C[6]H)2	C[6](C[6]C[6])(N[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	126.6160	0.000	1	126.6160	0.000	1	122.8112	8.572	10	122.4311	7.403	14	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:1:	3:3:	3:3:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]N[6]H)	N[6](C[6]C[6]H)2	C[6](C[6]C[6])(N[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H){1|C<3>}	N[6](C[6]C[6]H)2{1|C<3>}	123.6483	0.857	4	121.9708	14.620	5	122.8112	8.572	10	122.4311	7.403	14	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:1:	3:3:	3:3:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]N[6]H)	N[6](C[6]C[6]H)2	C[6](C[6]C[6])(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	115.2610	0.000	1	121.9708	14.620	5	122.8112	8.572	10	122.4311	7.403	14	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:1:	3:3:	3:3:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6])(N[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|S<2>}	122.9950	0.000	1	122.9950	0.000	1	122.8112	8.572	10	122.4311	7.403	14	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:1:	3:3:	3:3:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)	N[6](C[6]C[6]H)2	C[6](C[6]C[6])(N[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H){1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	123.1825	0.265	2	123.1825	0.070	2	122.8112	8.572	10	122.4311	7.403	14	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:1:	3:3:	3:3:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)2	N[6](C[6]C[6]H)(C[6]N[6]O)	C[6](C[6]C[6])(N[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)2{1|Pt<4>,1|C<3>}	N[6](C[6]C[6]H)(C[6]N[6]O){1|Pt<4>,1|C<3>}	122.2820	0.000	1	122.2820	0.000	1	122.8112	8.572	10	122.4311	7.403	14	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:1:	3:3:	3:3:	C[6]-2:N[6]-2:N-1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(N)	C[6](C[6]N[6]N)2	N[6](C[6]C[6]N)(C[6]N[6]S)	C[6](C[6]C[6])(N[6]C[6])(N){1|N<1>,1|N<2>,1|S<2>}	C[6](C[6]N[6]N)2{1|C<3>}	N[6](C[6]C[6]N)(C[6]N[6]S){1|C<3>}	121.0780	3.441	2	121.0780	11.839	2	121.0780	11.839	2	122.4311	7.403	14	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:1:	3:3:	3:3:	N[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:	C[6](N[6]C[5,6])(C[6]C[6])(C)	C[6](C[6]N[5,6]C)(C[6]N[6]C)	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6])(C){1|C<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5,6]C)(C[6]N[6]C){1|C<3>,1|N<2>}	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C){1|C<2>,1|C<3>,1|N<2>}	122.7620	0.000	1	122.7620	0.000	1	121.8835	1.544	2	122.4311	7.403	14	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:1:	3:3:	3:3:	N[6]-2:C[6]-2:C-1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:	C[6](N[6]C[5,6])(C[6]C[6])(C)	C[6](C[6]N[5,6]O)(C[6]N[6]C)	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)	C[6](N[6]C[5,6])(C[6]C[6])(C){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(C[6]N[6]C){1|C<3>,1|N<2>}	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]C){1|C<2>,1|C<3>,1|N<2>}	121.0050	0.000	1	121.0050	0.000	1	121.8835	1.544	2	122.4311	7.403	14	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:2:	3:2:	3:3:	C[6]-2:N[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(CN)	C[6](C[6]N[6]C)(C[6]C[6])	N[6](C[6]C[6]C)2	C[6](C[6]C[6])(N[6]C[6])(CN){1|C<3>,1|C<4>}	C[6](C[6]N[6]C)(C[6]C[6]){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)2{1|C<2>,1|H<1>}	117.6150	0.000	1	117.6150	0.000	1	117.6150	0.000	1	117.6150	0.000	1	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:2:	3:3:	3:3:	C[6]-2:N[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)	N[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6])(N[6]C[6])(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>}	121.3910	0.000	1	121.3910	0.000	1	121.3910	0.000	1	122.7145	3.503	2	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:2:	3:3:	3:3:	C[6]-2:N[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(NN)	C[6](C[6]C[6]H)(C[6]N[6]N)	N[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6])(N[6]C[6])(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|H<1>}	124.0380	0.000	1	124.0380	0.000	1	124.0380	0.000	1	122.7145	3.503	2	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:3:	3:3:	3:3:	C[6]-2:N[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6]C[6])(N[6]C[6])(COO){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C){1|H<1>,3|C<3>}	123.6740	0.000	1	123.6740	0.000	1	123.6740	0.000	1	123.6740	0.000	1	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	2:2:4:	3:3:	3:3:	N[6]-2:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(C[6]C[6])(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)	C[6](N[6]C[6,6a])(C[6]C[6])(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C){2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C){1|N<2>,3|C<3>}	121.6160	0.390	2	121.6160	0.152	2	121.6160	0.152	2	121.6160	0.152	2	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:2:	3:2:	3:2:	N[5a]-3:C[6]-2:N[6]-2:	C[6]-3:N[6]-2:	C[6]-3:C[6]-2:	C[6](N[5a]C[5a,6a]2)(C[6]N[6])(N[6]C[6])	C[6](C[6]N[5a]N[6])(N[6]C[6])	N[6](C[6]N[5a]C[6])(C[6]C[6])	C[6](N[5a]C[5a,6a]2)(C[6]N[6])(N[6]C[6]){5|C<3>}	C[6](C[6]N[5a]N[6])(N[6]C[6]){1|C<2>,1|N<3>,2|C<3>}	N[6](C[6]N[5a]C[6])(C[6]C[6]){1|N<2>,1|N<3>,2|C<3>}	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:2:	3:3:	3:3:	C[6a]-3:C[6]-2:N[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6])(N[6]C[6])	C[6](C[6]C[6a]N[6])2	N[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6])(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])2{1|N<2>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6a]N[6]){5|C<3>}	120.7450	0.000	1	120.7450	0.000	1	121.6517	0.658	3	122.6630	3.470	5	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:2:	3:3:	3:3:	C[6a]-3:C[6]-2:N[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6])	C[6](C[6]C[6a]N[6])(C[6]C[6]C)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>}	122.3080	0.000	1	122.3080	0.000	1	121.6517	0.658	3	122.6630	3.470	5	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:2:	3:3:	3:3:	C[6a]-3:C[6]-2:N[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6])	C[6](C[6]C[6a]N[6])2	N[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]N[6])2{1|N<2>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6a]N[6]){1|N<2>,4|C<3>}	121.9020	0.000	1	121.9020	0.000	1	121.6517	0.658	3	122.6630	3.470	5	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6]-2:C[6]-2:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6])	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H){4|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]){5|C<3>}	122.6160	0.000	1	122.6160	0.000	1	122.6160	0.000	1	122.6630	3.470	5	120.6915	22.820	36	120.6915	22.820	36
762	206	914	6:SP2_SP1_SP2	C[6]	C[6]	N[6]	3:2:2:	3:3:	3:3:	N[6]-3:C[6]-2:N[6]-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(C[6]C[6])(N[6]C[6])	C[6](C[6]C[6]H)(C[6]N[6]2)	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]2)(C[6]C[6])(N[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	125.7440	0.000	1	125.7440	0.000	1	125.7440	0.000	1	122.6630	3.470	5	120.6915	22.820	36	120.6915	22.820	36
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	2:2:1:	2:3:	3:	C[6]-2:C[6]-2:Br-1:	C[6]-2:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]C[6])(Br)	C[6](C[6]C[6,6a])(C[6]C[6]Br)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]C[6])(Br){2|C<3>}	C[6](C[6]C[6,6a])(C[6]C[6]Br){1|C<3>,1|S<2>}	Br(C[6]C[6]2)	120.4060	0.000	1	120.4060	0.000	1	120.4060	0.000	1	120.4060	0.000	1	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:Br-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[5,6])	Br(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6])(Br){2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[5,6]){1|C<3>,1|N<3>}	Br(C[6]C[6]2)	120.0910	0.000	1	120.0910	0.000	1	118.9091	1.211	9	118.9091	1.211	9	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:Br-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(Br)	C[6](C[6]C[6]Br)(C[6]C[6])	Br(C[6]C[6]2)	C[6](C[6]C[6])2(Br){1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|C<3>}	Br(C[6]C[6]2)	118.0637	1.110	4	118.7614	1.159	8	118.9091	1.211	9	118.9091	1.211	9	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:Br-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(Br)	C[6](C[6]C[6]Br)(C[6]C[6])	Br(C[6]C[6]2)	C[6](C[6]C[6])2(Br){1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|N<2>}	Br(C[6]C[6]2)	119.3170	0.488	2	118.7614	1.159	8	118.9091	1.211	9	118.9091	1.211	9	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:Br-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(Br)	C[6](C[6]C[6]Br)(C[6]C[6])	Br(C[6]C[6]2)	C[6](C[6]C[6])2(Br){1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]){2|C<2>}	Br(C[6]C[6]2)	119.6010	0.455	2	118.7614	1.159	8	118.9091	1.211	9	118.9091	1.211	9	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:Br-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6])(Br)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]Br)	Br(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6])(Br){2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]Br){1|C<2>,1|C<3>,1|N<3>,1|O<1>}	Br(C[6]C[6]2)	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	119.4183	0.679	8	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:Br-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]C[6])(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]C[6])(Br){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br){1|C<2>,1|C<3>,1|O<1>,1|S<2>}	Br(C[6]C[6]2)	119.6130	0.000	1	119.6130	0.000	1	119.6130	0.000	1	119.4183	0.679	8	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)	Br(C[6]C[6]2)	C[6](C[6]C[6])2(Br){1|C<3>,2|C<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|O<3>}	Br(C[6]C[6]2)	119.5923	0.774	6	119.5923	0.600	6	119.5923	0.600	6	119.4183	0.679	8	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]C[6]H)(Br)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]C[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br){1|H<1>,1|N<2>,3|C<3>}	Br(C[6]C[6]2)	119.8750	0.000	1	119.8750	0.000	1	119.8750	0.000	1	119.8750	0.000	1	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	3:2:1:	3:3:	3:	C[6,6a]-3:C[6]-2:Br-1:	C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(Br)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]Br)	Br(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(Br){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]Br){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6]C[6,6a]C[6])	117.9210	0.000	1	117.9210	0.000	1	117.9210	0.000	1	119.5254	1.452	9	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H){1|H<1>,2|C<3>}	Br(C[6]C[6]2)	119.4370	0.535	2	119.2753	0.221	3	119.7260	1.246	8	119.5254	1.452	9	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	Br(C[6]C[6]2)	118.9520	0.000	1	119.2753	0.221	3	119.7260	1.246	8	119.5254	1.452	9	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(Br)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br){2|H<1>,3|C<3>}	Br(C[6]C[6]2)	119.7050	0.000	1	119.7050	0.000	1	119.7260	1.246	8	119.5254	1.452	9	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	118.9600	0.000	1	119.0365	0.012	2	119.7260	1.246	8	119.5254	1.452	9	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|H<1>,1|O<2>}	Br(C[6]C[6]2)	119.1130	0.000	1	119.0365	0.012	2	119.7260	1.246	8	119.5254	1.452	9	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]S)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(Br){1|Br<1>,1|C<3>,1|S<4>}	C[6](C[6]C[6]Br)(C[6]C[6]S){1|C<3>,1|H<1>,1|O<2>}	Br(C[6]C[6]2)	119.8940	0.000	1	119.8940	0.000	1	119.7260	1.246	8	119.5254	1.452	9	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]N)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)	Br(C[6]C[6]2)	C[6](C[6]N[6]N)(C[6]C[6])(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H){3|N<3>}	Br(C[6]C[6]2)	122.3100	0.000	1	122.3100	0.000	1	119.7260	1.246	8	119.5254	1.452	9	119.3602	1.065	29	119.3602	1.065	29
762	206	924	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	4:2:1:	3:3:	3:	C[6]-4:C[6]-2:Br-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]CN)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)	Br(C[6]C[6]2)	C[6](C[6]C[6]CN)(C[6]C[6])(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	119.9080	0.000	1	119.9080	0.000	1	119.9080	0.000	1	119.9080	0.000	1	119.3602	1.065	29	119.3602	1.065	29
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	2:2:3:	3:2:	3:1:1:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6])2(COO)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(O)2	C[6](C[6]C[6])2(COO){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|N<3>}	C(C[6]C[6]2)(O)2	119.9275	1.064	2	120.0102	1.723	6	120.0102	1.723	6	120.0102	1.723	6	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	2:2:3:	3:2:	3:1:1:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6])2(COO)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(O)2	C[6](C[6]C[6])2(COO){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Si<4>,1|C<2>}	C(C[6]C[6]2)(O)2	120.0515	1.577	4	120.0102	1.723	6	120.0102	1.723	6	120.0102	1.723	6	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	2:2:3:	3:2:	3:2:1:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C-2:Br-1:	C[6](C[6]C[6])2(CBrC)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(CC)(Br)	C[6](C[6]C[6])2(CBrC){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|F<1>}	C(C[6]C[6]2)(CC)(Br)	119.7463	1.048	4	119.7463	1.098	4	119.7463	1.098	4	119.9474	0.831	8	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	2:2:3:	3:2:	3:2:1:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6])2(COO)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]C[6])2(COO){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C(C[6]C[6]2)(OMn)(O)	120.1485	0.856	4	120.1485	0.733	4	120.1485	0.733	4	119.9474	0.831	8	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	2:2:3:	3:2:	3:2:2:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:N-2:N-2:	C[6](C[6]C[6])2(CNN)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(NC[6])(NC)	C[6](C[6]C[6])2(CNN){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C(C[6]C[6]2)(NC[6])(NC)	120.1040	1.059	2	120.1040	1.122	2	120.1040	1.122	2	120.1040	1.122	2	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	2:2:3:	3:2:	3:3:1:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C-3:O-1:	C[6](C[6]C[6])2(CCO)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(CCC)(O)	C[6](C[6]C[6])2(CCO){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C(C[6]C[6]2)(CCC)(O)	120.0830	2.984	2	120.0830	8.904	2	120.0830	8.904	2	120.0830	8.904	2	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	2:2:3:	3:2:	3:3:2:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[5]-3:C[6]-3:C-2:	C[6](C[6]C[6])2(CC[5]C)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[5]C[5]2)(C[6]C[6]2)(CN)	C[6](C[6]C[6])2(CC[5]C){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Br<1>,1|C<2>}	C(C[5]C[5]2)(C[6]C[6]2)(CN)	121.0863	1.545	4	121.0863	2.388	4	121.0863	2.388	4	120.9427	2.935	6	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	2:2:3:	3:2:	3:3:2:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:N-3:C-2:	C[6](C[6]C[6])2(CCN)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(NC[6]N)(CO)	C[6](C[6]C[6])2(CCN){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C(C[6]C[6]2)(NC[6]N)(CO)	120.6555	2.695	2	120.6555	7.262	2	120.6555	7.262	2	120.9427	2.935	6	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	2:2:3:	3:2:	3:3:3:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C-3:C-3:	C[6](C[6]C[6])2(CCC)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(CC[6]2)(CC[6]C)	C[6](C[6]C[6])2(CCC){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C(C[6]C[6]2)(CC[6]2)(CC[6]C)	120.7313	4.136	4	120.7313	17.107	4	120.7313	17.107	4	121.2759	9.923	12	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	2:2:3:	3:2:	3:3:3:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6])2(CC[6]C)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)2(CC[6]C)	C[6](C[6]C[6])2(CC[6]C){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|N<3>}	C(C[6]C[6]2)2(CC[6]C)	121.5482	2.830	8	121.5482	8.008	8	121.5482	8.008	8	121.2759	9.923	12	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	2:2:3:	3:3:	3:2:1:	C[6]-2:N[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6])(N[6]C[6])(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6])(N[6]C[6])(COO){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C){1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(OC)(O)	117.2150	0.000	1	117.2150	0.000	1	117.2150	0.000	1	117.2150	0.000	1	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	2:2:3:	3:3:	3:3:1:	C[6]-2:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6])2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6])2(CCH){1|N<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H){1|C<3>}	C(C[6]C[6]2)(CC[6]H)(H)	121.9295	2.317	4	121.9295	5.366	4	121.9295	5.366	4	121.9295	5.366	4	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	2:3:3:	3:3:	3:1:1:	C[6]-2:C[6]-3:C-3:	C[6,6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6])(C[6]C[6]N)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6])(C[6]C[6]N)(CHH){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(H)2	122.4200	0.000	1	122.4200	0.000	1	122.4200	0.000	1	122.4200	0.000	1	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:2:	3:1:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C-1:C-1:	C[6](C[6]C[6]N)(C[6]C[6])(CCC)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(C)2	C[6](C[6]C[6]N)(C[6]C[6])(CCC){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|N<2>}	C(C[6]C[6]2)(C)2	119.9940	1.086	2	119.9940	1.180	2	119.7278	0.517	6	119.9184	0.685	7	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:2:	3:1:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:C-1:C-1:	C[6](C[6]C[6]S)(C[6]C[6])(CCC)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(C)2	C[6](C[6]C[6]S)(C[6]C[6])(CCC){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|S<2>}	C(C[6]C[6]2)(C)2	119.5948	0.631	4	119.5948	0.398	4	119.7278	0.517	6	119.9184	0.685	7	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:2:	3:1:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]2)(C[6]C[6])(CHH)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]2)(C[6]C[6])(CHH){2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)2	121.0620	0.000	1	121.0620	0.000	1	121.0620	0.000	1	119.9184	0.685	7	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:2:	3:3:1:	N[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Co)(C[6]C[6])(CNO)	C[6](C[6]N[6]C)(C[6]C[6])	C(C[6]C[6]N[6])(NC[6a]Co)(O)	C[6](N[6]C[6]Co)(C[6]C[6])(CNO){1|C<2>,1|C<3>}	C[6](C[6]N[6]C)(C[6]C[6]){1|Co<6>,1|C<3>}	C(C[6]C[6]N[6])(NC[6a]Co)(O)	127.0210	0.000	1	127.0210	0.000	1	127.0210	0.000	1	127.0210	0.000	1	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:2:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(CC[5a]2)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(CC[5a]2){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|O<2>}	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	123.0130	12.168	2	123.0130	148.058	2	123.0130	148.058	2	121.6420	51.902	4	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:2:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6]-3:N-3:C-3:	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(NTeC)(CHH)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NTeC)(CHH)	120.0160	0.000	1	120.0160	0.000	1	120.0160	0.000	1	121.6420	51.902	4	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:2:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	120.5260	0.000	1	120.5260	0.000	1	120.5260	0.000	1	121.6420	51.902	4	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:1:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	122.1560	0.000	1	122.1560	0.000	1	122.1560	0.000	1	122.1560	0.000	1	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:2:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a])(H)	118.2330	0.000	1	118.2330	0.000	1	118.2330	0.000	1	118.0680	0.158	3	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:2:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]2)(C[6]C[6])(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]2)(C[6]C[6])(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	117.6140	0.000	1	117.6140	0.000	1	117.9855	0.276	2	118.0680	0.158	3	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:2:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(COO)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]C[6])(COO){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C){1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	118.3570	0.000	1	118.3570	0.000	1	117.9855	0.276	2	118.0680	0.158	3	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:2:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]O)(C[6]C[6])(CCC)	C[6](C[6]C[6]C)(C[6]C[6]O)	C(C[6]C[6]2)(CN)2	C[6](C[6]C[6]O)(C[6]C[6])(CCC){1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O){1|C<2>,1|C<3>,1|O<2>}	C(C[6]C[6]2)(CN)2	119.8590	0.000	1	119.8590	0.000	1	119.8590	0.000	1	119.8590	0.000	1	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CCH)(O)	C[6](C[6]C[6]H)(C[6]C[6])(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCH)(O)	123.3620	0.000	1	123.3620	0.000	1	123.3620	0.000	1	120.7151	12.805	14	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CC[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]O[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]O[6])(C[6]C[6]2)(H)	127.5620	0.000	1	127.5620	0.000	1	127.5620	0.000	1	120.7151	12.805	14	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(NC[6]Cu)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6]Cu)(H)	117.5780	0.000	1	117.5780	0.000	1	119.1517	11.465	7	120.7151	12.805	14	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(NC[6]Ni)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6]Ni)(H)	118.5520	0.000	1	118.5520	0.000	1	119.1517	11.465	7	120.7151	12.805	14	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NCuC)(H)	117.3520	0.000	1	117.3520	0.000	1	119.1517	11.465	7	120.7151	12.805	14	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NNiC)(H)	120.2710	0.000	1	118.6375	5.337	2	119.1517	11.465	7	120.7151	12.805	14	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NNiC)(H)	117.0040	0.000	1	118.6375	5.337	2	119.1517	11.465	7	120.7151	12.805	14	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(NZnO)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NZnO)(H)	116.9440	0.000	1	116.9440	0.000	1	119.1517	11.465	7	120.7151	12.805	14	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]Te)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(NTeC)(H)	C[6](C[6]C[6]Te)(C[6]C[6])(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|Te<5>,1|C<2>,1|H<1>}	C(C[6]C[6]2)(NTeC)(H)	126.3610	0.000	1	126.3610	0.000	1	119.1517	11.465	7	120.7151	12.805	14	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]C[6])(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H){1|Ag<3>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHH)(O)	117.9450	0.000	1	117.9450	0.000	1	118.4160	0.444	2	120.7151	12.805	14	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:O-1:	C[6](C[6]N[6]H)(C[6]C[6])(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]N[6]H)(C[6]C[6])(CNO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|N<2>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	118.8870	0.000	1	118.8870	0.000	1	118.4160	0.444	2	120.7151	12.805	14	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:1:	N[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6])(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)	C(C[6]C[6]N[6])(NCuN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuN)(H)	122.5200	0.000	1	122.5200	0.000	1	123.3310	1.315	2	120.7151	12.805	14	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:1:	N[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6])(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6])(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	124.1420	0.000	1	124.1420	0.000	1	123.3310	1.315	2	120.7151	12.805	14	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:1:	N[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6])(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)	C(C[6]C[6]N[6])(NPdN)(O)	C[6](N[6]C[6]Pd)(C[6]C[6])(CNO){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Pd<4>,1|C<3>}	C(C[6]C[6]N[6])(NPdN)(O)	121.5310	0.000	1	121.5310	0.000	1	121.5310	0.000	1	120.7151	12.805	14	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	122.7980	0.000	1	122.7980	0.000	1	121.4590	2.596	3	121.4590	2.596	3	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(NN)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(NN)	120.7895	1.582	2	120.7895	2.502	2	121.4590	2.596	3	121.4590	2.596	3	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(CC[5a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	117.6070	0.000	1	117.6070	0.000	1	117.6070	0.000	1	120.7305	4.434	4	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CC[6]N)(NCdN)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]N)(NCdN)	121.9350	0.000	1	121.9350	0.000	1	121.9905	0.006	2	120.7305	4.434	4	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CC[6]N)(NCuN)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]N)(NCuN)	122.0460	0.000	1	122.0460	0.000	1	121.9905	0.006	2	120.7305	4.434	4	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:C-3:	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(NTeC)(CHH)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>}	C(C[6]C[6]2)(NTeC)(CHH)	121.3340	0.000	1	121.3340	0.000	1	121.3340	0.000	1	120.7305	4.434	4	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:3:4:	N[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6])(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)	C(C[6]C[6]N[6])(NC[6a]Co)(CCHH)	C[6](N[6]C[6]Co)(C[6]C[6])(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(CCHH)	128.2680	0.000	1	128.2680	0.000	1	128.2680	0.000	1	128.2680	0.000	1	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:4:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CHHS)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CHHS)(H)	121.7220	0.000	1	121.7220	0.000	1	123.1375	4.007	2	123.1375	4.007	2	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:4:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]N)(C[6]C[6])(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]N)(C[6]C[6])(CCH){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<4>}	C(C[6]C[6]2)(CH3)(H)	124.5530	0.000	1	124.5530	0.000	1	123.1375	4.007	2	123.1375	4.007	2	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:4:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CCHH)(NN)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(NN)	120.7690	0.000	1	120.7690	0.000	1	121.5195	1.127	2	121.5195	1.127	2	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:2:3:	3:3:	3:4:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CH3)(NS)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(NS)	122.2700	0.000	1	122.2700	0.000	1	121.5195	1.127	2	121.5195	1.127	2	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:	3:3:3:	C-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[5a]-3:C[5]-3:C[6]-3:	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	119.8880	0.000	1	119.8880	0.000	1	120.1350	0.122	2	120.1350	0.122	2	120.8360	8.043	87	120.8360	8.043	87
762	206	930	0:SP2_SP1_SP2	C[6]	C[6]	C	3:3:2:	3:3:	3:3:3:	C-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[5a]-3:C[5]-3:C[6]-3:	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6]C[6]2)	120.3820	0.000	1	120.3820	0.000	1	120.1350	0.122	2	120.1350	0.122	2	120.8360	8.043	87	120.8360	8.043	87
762	206	941	0:SP2_SP1_SP2	C[6]	C[6]	N	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:N-2:	C[6]-3:C[6]-2:	C[6]-3:N-2:	C[6](C[6]C[6])2(NN)	C[6](C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)(NC)	C[6](C[6]C[6])2(NN){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	N(C[6]C[6]2)(NC)	117.6610	5.945	2	117.6610	35.347	2	117.6610	35.347	2	117.6610	35.347	2	120.7802	13.075	18	120.7802	13.075	18
762	206	941	0:SP2_SP1_SP2	C[6]	C[6]	N	2:2:2:	3:2:	3:3:	C[6]-2:C[6]-2:N-2:	C[6]-3:C[6]-2:	C[6]-3:C-3:	C[6](C[6]C[6])2(NC)	C[6](C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)(CNO)	C[6](C[6]C[6])2(NC){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|Cl<1>,1|C<2>}	N(C[6]C[6]2)(CNO)	120.2905	5.370	2	120.2905	28.842	2	120.1693	14.225	6	120.1693	14.225	6	120.7802	13.075	18	120.7802	13.075	18
762	206	941	0:SP2_SP1_SP2	C[6]	C[6]	N	2:2:2:	3:2:	3:3:	C[6]-2:C[6]-2:N-2:	C[6]-3:C[6]-2:	C[6]-3:C-3:	C[6](C[6]C[6])2(NC)	C[6](C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)(COO)	C[6](C[6]C[6])2(NC){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|Br<1>,1|C<2>}	N(C[6]C[6]2)(COO)	119.7210	5.760	2	120.1088	14.079	4	120.1693	14.225	6	120.1693	14.225	6	120.7802	13.075	18	120.7802	13.075	18
762	206	941	0:SP2_SP1_SP2	C[6]	C[6]	N	2:2:2:	3:2:	3:3:	C[6]-2:C[6]-2:N-2:	C[6]-3:C[6]-2:	C[6]-3:C-3:	C[6](C[6]C[6])2(NC)	C[6](C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)(COO)	C[6](C[6]C[6])2(NC){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|O<2>}	N(C[6]C[6]2)(COO)	120.4965	2.908	2	120.1088	14.079	4	120.1693	14.225	6	120.1693	14.225	6	120.7802	13.075	18	120.7802	13.075	18
762	206	941	0:SP2_SP1_SP2	C[6]	C[6]	N	2:2:2:	3:3:	3:2:	C[6]-2:N[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:N-2:	C[6](C[6]C[6])(N[6]C[6])(NN)	C[6](C[6]C[6]H)(C[6]N[6]N)	N(C[6]C[6]N[6])(NRe)	C[6](C[6]C[6])(N[6]C[6])(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(NRe)	117.1000	0.000	1	117.1000	0.000	1	117.1000	0.000	1	117.1000	0.000	1	120.7802	13.075	18	120.7802	13.075	18
762	206	941	0:SP2_SP1_SP2	C[6]	C[6]	N	2:3:2:	3:3:	3:4:	C[6]-2:C[6]-3:N-2:	C[6,6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6,6])(C[6]C[6]C)(NC)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)	N(C[6]C[6]2)(CCHH)	C[6](C[6]C[6,6])(C[6]C[6]C)(NC){1|C<3>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N){1|C<2>,1|C<4>,2|C<3>}	N(C[6]C[6]2)(CCHH)	121.6190	0.000	1	121.6190	0.000	1	121.6190	0.000	1	121.6190	0.000	1	120.7802	13.075	18	120.7802	13.075	18
762	206	941	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:2:	3:2:	3:3:	C[6,6]-3:C[6]-2:N-2:	C[6]-3:C[6]-2:	C[6]-3:C-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NC)	C[6](C[6]C[6,6]N)(C[6]C[6])	N(C[6]C[6,6]C[6])(CCO)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NC){3|C<2>}	C[6](C[6]C[6,6]N)(C[6]C[6]){1|C<3>,1|N<2>}	N(C[6]C[6,6]C[6])(CCO)	124.5450	0.051	2	124.5450	0.003	2	124.8250	0.236	3	123.4477	7.745	4	120.7802	13.075	18	120.7802	13.075	18
762	206	941	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:2:	3:2:	3:3:	C[6,6]-3:C[6]-2:N-2:	C[6]-3:C[6]-2:	C[6]-3:C-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NC)	C[6](C[6]C[6,6]N)(C[6]C[6])	N(C[6]C[6,6]C[6])(CC[4]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NC){3|C<2>}	C[6](C[6]C[6,6]N)(C[6]C[6]){1|C<3>,1|N<2>}	N(C[6]C[6,6]C[6])(CC[4]O)	125.3850	0.000	1	125.3850	0.000	1	124.8250	0.236	3	123.4477	7.745	4	120.7802	13.075	18	120.7802	13.075	18
762	206	941	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:2:	3:2:	3:3:	N[6]-3:C[6]-2:N-2:	C[6]-3:C[6]-2:	C[6]-3:N-3:	C[6](N[6]C[6]Ni)(C[6]C[6])(NN)	C[6](C[6]N[6]N)(C[6]C[6])	N(C[6]C[6]N[6])(NC[6a]Ni)	C[6](N[6]C[6]Ni)(C[6]C[6])(NN){1|C<2>}	C[6](C[6]N[6]N)(C[6]C[6]){1|Ni<6>,1|C<2>}	N(C[6]C[6]N[6])(NC[6a]Ni)	119.3160	0.000	1	119.3160	0.000	1	119.3160	0.000	1	123.4477	7.745	4	120.7802	13.075	18	120.7802	13.075	18
762	206	941	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:2:	3:3:	3:2:	C[6]-3:C[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6])(NN)	C[6](C[6]C[6]H)(C[6]C[6]N)	N(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6])(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(NC[6a])	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	120.7802	13.075	18	120.7802	13.075	18
762	206	941	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:2:	3:3:	3:3:	C[6]-3:C[6]-2:N-2:	C[6]-3:C[6]-3:	C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]C[6])(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)	N(C[6]C[6]2)(CCO)	C[6](C[6]C[6]H)(C[6]C[6])(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CCO)	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	120.7802	13.075	18	120.7802	13.075	18
762	206	941	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:2:	3:3:	4:3:	C[6]-3:C[6]-2:N-2:	C[6]-3:C[6]-3:	P[5]-4:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(NP[5])	C[6](C[6]C[6]H)(C[6]C[6]N)	N(P[5]N[5,5]N[5]N)(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(NP[5]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,2|H<1>}	N(P[5]N[5,5]N[5]N)(C[6]C[6]2)	123.8600	0.000	1	123.8600	0.000	1	123.8600	0.000	1	123.8600	0.000	1	120.7802	13.075	18	120.7802	13.075	18
762	206	941	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:2:	4:3:	3:3:	C[6]-3:C[6]-2:N-2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(NC[6a])	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)	N(C[6a]C[6a]2)(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(NC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N){1|C<4>,4|C<3>}	N(C[6a]C[6a]2)(C[6]C[6]2)	118.3220	0.000	1	118.3220	0.000	1	118.3220	0.000	1	118.3220	0.000	1	120.7802	13.075	18	120.7802	13.075	18
762	206	944	0:SP2_SP-NON_SP1	C[6]	C[6]	I	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:I-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])(C[6]N[6])(I)	C[6](C[6]C[6]I)(C[6]C[6])	I(C[6]C[6]2)	C[6](C[6]C[6])(C[6]N[6])(I){1|C<2>}	C[6](C[6]C[6]I)(C[6]C[6]){1|N<2>}	I(C[6]C[6]2)	120.6130	0.000	1	120.6130	0.000	1	120.6130	0.000	1	118.9845	5.304	2	118.8667	2.541	4	118.8667	2.541	4
762	206	944	0:SP2_SP-NON_SP1	C[6]	C[6]	I	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:I-1:	C[6]-3:N[6]-2:	C[6]-3:	C[6](C[6]C[6])(C[6]N[6])(I)	C[6](C[6]C[6]I)(N[6]C[6])	I(C[6]C[6]2)	C[6](C[6]C[6])(C[6]N[6])(I){1|C<2>}	C[6](C[6]C[6]I)(N[6]C[6]){1|C<2>}	I(C[6]C[6]2)	117.3560	0.000	1	117.3560	0.000	1	117.3560	0.000	1	118.9845	5.304	2	118.8667	2.541	4	118.8667	2.541	4
762	206	944	0:SP2_SP-NON_SP1	C[6]	C[6]	I	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:I-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]H)(I)	C[6](C[5,6]C[5,6]2)(C[6]C[6]I)	I(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]I){1|H<1>,1|N<3>,4|C<3>}	I(C[6]C[6]2)	117.6850	0.000	1	117.6850	0.000	1	117.6850	0.000	1	117.6850	0.000	1	118.8667	2.541	4	118.8667	2.541	4
762	206	944	0:SP2_SP-NON_SP1	C[6]	C[6]	I	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:I-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(I)	C[6](C[6]C[6]H)(C[6]C[6]I)	I(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I){1|C<3>,1|H<1>,1|N<3>}	I(C[6]C[6]2)	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	118.8667	2.541	4	118.8667	2.541	4
762	206	945	0:SP2_SP1_SP3	C[6]	C[6]	P	2:2:3:	3:2:	3:3:3:	C[6]-2:C[6]-2:P-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6])2(PC[6]2)	C[6](C[6]C[6]P)(C[6]C[6])	P(C[6]C[6]2)3	C[6](C[6]C[6])2(PC[6]2){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	P(C[6]C[6]2)3	120.5985	3.276	10	120.5985	10.729	10	120.5985	10.729	10	120.5985	10.729	10	120.6486	8.871	14	120.6486	8.871	14
762	206	945	0:SP2_SP1_SP3	C[6]	C[6]	P	3:2:2:	3:2:	3:3:3:	P-3:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6](PC[6a]C[6])(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])	P(C[6a]C[6a]2)(C[6]C[6]2)2	C[6](PC[6a]C[6])(C[6]C[6])2{1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	P(C[6a]C[6a]2)(C[6]C[6]2)2	120.7555	3.457	2	120.7555	11.951	2	120.7555	11.951	2	120.7555	11.951	2	120.6486	8.871	14	120.6486	8.871	14
762	206	945	0:SP2_SP1_SP3	C[6]	C[6]	P	3:2:3:	2:3:	3:3:3:	C[6]-3:C[6]-2:P-3:	C[6]-2:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6]C[5a])(C[6]C[6])(PC[6]2)	C[6](C[6]C[6,6])(C[6]C[6]P)	P(C[6]C[6]2)3	C[6](C[6]C[6,6]C[5a])(C[6]C[6])(PC[6]2){1|C<2>,1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6,6])(C[6]C[6]P){1|C<2>,2|C<3>}	P(C[6]C[6]2)3	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	120.6486	8.871	14	120.6486	8.871	14
762	206	945	0:SP2_SP1_SP3	C[6]	C[6]	P	3:3:2:	3:2:	3:3:3:	P-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6](PC[6a]C[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	P(C[6a]C[6a]2)(C[6]C[6]2)2	C[6](PC[6a]C[6])(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<3>,1|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2)2	118.9600	0.000	1	118.9600	0.000	1	118.9600	0.000	1	118.9600	0.000	1	120.6486	8.871	14	120.6486	8.871	14
762	206	951	0:SP2_SP-NON_SP1	C[6,6]	C[6,6]	H	4:2:1:	4:3:	3:	C[3x6]-4:C[6,6]-2:H-1:	C[3x6]-4:C[6,6]-3:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6])(H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H)	H(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6])(H){1|O<2>,2|C<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H){2|C<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6])	129.8780	0.000	1	129.8780	0.000	1	129.8780	0.000	1	129.8780	0.000	1	129.8780	0.000	1	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	2:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-2:C[6]-3:	C[6]-3:	C[6](C[6]C[5a,6])(C[6]C[6])(H)	C[6](C[6]C[5a,6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5a,6])(C[6]C[6])(H){1|C<3>,1|N<3>}	C[6](C[6]C[5a,6])(C[6]C[6]H){1|C<3>,1|N<2>}	H(C[6]C[6]2)	117.1910	0.000	1	117.1910	0.000	1	117.1910	0.000	1	117.3340	0.041	2	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	2:3:	3:	C[6]-2:C[6]-2:H-1:	N[6]-2:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]N[6])(H)	C[6](N[6]C[5,6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]N[6])(H){2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H){2|C<3>}	H(C[6]C[6]2)	117.4770	0.000	1	117.4770	0.000	1	117.4770	0.000	1	117.3340	0.041	2	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])(C[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6])(C[6]N[6])(H){1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<2>}	H(C[6]C[6]2)	131.0150	0.000	1	131.0150	0.000	1	122.2254	26.916	5	120.8031	40.451	7	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>}	H(C[6]C[6]2)	120.1660	0.000	1	120.0280	3.697	4	122.2254	26.916	5	120.8031	40.451	7	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|Se<3>,1|C<3>}	H(C[6]C[6]2)	122.6380	0.000	1	120.0280	3.697	4	122.2254	26.916	5	120.8031	40.451	7	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){2|C<3>}	H(C[6]C[6]2)	118.1620	0.000	1	120.0280	3.697	4	122.2254	26.916	5	120.8031	40.451	7	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	H(C[6]C[6]2)	119.1460	0.000	1	120.0280	3.697	4	122.2254	26.916	5	120.8031	40.451	7	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:2:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:	C[6](C[6]C[6])(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6])(C[6]N[6])(H){1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<2>,1|H<1>}	H(C[6]C[6]2)	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	120.8031	40.451	7	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:2:	3:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])	H(C[6]C[6]N[6])	C[6](C[6]C[6])(N[6]C[6])(H){1|C<3>}	C[6](C[6]N[6]H)(C[6]C[6]){1|C<2>,1|H<1>}	H(C[6]C[6]N[6])	124.3060	0.000	1	124.3060	0.000	1	124.3060	0.000	1	120.8031	40.451	7	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]N[6])(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]N[6])(H){2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H){2|C<3>,2|N<2>}	H(C[6]C[6]2)	122.0830	0.000	1	122.0830	0.000	1	122.0830	0.000	1	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5a,6])(C[6]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5a,6])(C[6]C[6])(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2)	121.2400	0.000	1	121.2400	0.000	1	121.2400	0.000	1	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6])(C[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6])(C[6]C[6])(H){1|I<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H){1|H<1>,3|C<3>}	H(C[6]C[6]2)	123.3150	0.000	1	123.3150	0.000	1	123.3150	0.000	1	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]C[6])(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H){1|N<2>,2|C<3>}	H(C[6]C[6]2)	122.8670	0.000	1	122.8670	0.000	1	122.8670	0.000	1	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6])(C[6]C[6])(H)	C[6](C[6]C[6,6]I)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6])(C[6]C[6])(H){1|I<2>,2|C<3>}	C[6](C[6]C[6,6]I)(C[6]C[6]H){2|C<3>}	H(C[6]C[6]2)	115.8980	0.000	1	115.8980	0.000	1	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|C<3>,1|N<2>}	H(C[6]C[6]2)	118.4310	0.000	1	118.4310	0.000	1	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<4>}	H(C[6]C[6]2)	120.2510	1.659	2	120.2510	2.752	2	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|N<3>}	H(C[6]C[6]2)	115.5960	0.000	1	115.5960	0.000	1	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]Ge)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|Ge<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ge)(C[6]C[6]H){1|C<3>,1|H<1>}	H(C[6]C[6]2)	114.2590	0.000	1	114.2590	0.000	1	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,1|H<1>}	H(C[6]C[6]2)	119.5800	0.000	1	119.5800	0.000	1	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,1|H<1>}	H(C[6]C[6]2)	112.4605	4.091	2	112.4605	16.733	2	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|S<2>}	H(C[6]C[6]2)	116.2730	0.000	1	116.2730	0.000	1	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Pd<4>,1|C<3>}	H(C[6]C[6]2)	118.5140	0.000	1	118.5140	0.000	1	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>}	H(C[6]C[6]2)	122.5570	0.000	1	122.5570	0.000	1	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|N<3>,2|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S){1|Rh<6>,1|C<3>}	H(C[6]C[6]2)	120.7390	0.000	1	120.7390	0.000	1	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2)	126.9850	3.335	2	121.3271	37.494	24	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2{1|C<3>,1|S<2>}	H(C[6]C[6]2)	122.5440	0.000	1	121.3271	37.494	24	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<3>}	H(C[6]C[6]2)	122.5330	0.000	1	121.3271	37.494	24	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<4>}	H(C[6]C[6]2)	120.2600	0.000	1	121.3271	37.494	24	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|Se<3>,1|C<2>}	H(C[6]C[6]2)	117.0450	0.000	1	121.3271	37.494	24	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2)	120.0125	4.864	4	121.3271	37.494	24	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|P<4>}	H(C[6]C[6]2)	120.3775	0.467	2	121.3271	37.494	24	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|S<4>}	H(C[6]C[6]2)	119.7945	11.524	2	121.3271	37.494	24	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>}	H(C[6]C[6]2)	120.3540	1.966	2	121.3271	37.494	24	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{2|C<3>}	H(C[6]C[6]2)	120.1908	11.186	5	121.3271	37.494	24	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|N<3>}	H(C[6]C[6]2)	124.8670	0.000	1	121.3271	37.494	24	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|Ge<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2)	125.8080	0.000	1	121.3271	37.494	24	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2)	122.7670	0.000	1	121.3271	37.494	24	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6])2(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H){1|C<3>,1|H<1>}	H(C[6]C[6]2)	118.0920	0.000	1	118.0920	0.000	1	119.9266	30.712	38	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](C[6]C[6])(N[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	133.3690	0.000	1	120.9365	309.134	2	119.0515	36.762	11	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](C[6]C[6])(N[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<3>,1|H<1>,2|C<2>}	H(C[6]C[6]N[6])	108.5040	0.000	1	120.9365	309.134	2	119.0515	36.762	11	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](C[6]C[6])(N[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H){1|C<3>}	H(C[6]C[6]N[6])	117.9022	0.568	4	118.7674	3.984	5	119.0515	36.762	11	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](C[6]C[6])(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	122.2280	0.000	1	118.7674	3.984	5	119.0515	36.762	11	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](C[6]C[6])(N[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|S<2>}	H(C[6]C[6]N[6])	122.6150	0.000	1	122.6150	0.000	1	119.0515	36.762	11	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](C[6]C[6])(N[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H){1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	116.4110	2.828	2	116.4110	8.000	2	119.0515	36.762	11	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:2:1:	3:3:	3:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6])(N[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]H)2{1|Pt<4>,1|C<3>}	H(C[6]C[6]N[6])	118.4190	0.000	1	118.4190	0.000	1	119.0515	36.762	11	119.9299	29.594	53	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[3x6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[3x6])(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2)	129.7120	0.000	1	129.7120	0.000	1	129.7120	0.000	1	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]H){1|Nb<7>,1|P<4>,3|C<3>}	H(C[6]C[6]2)	119.5420	0.000	1	119.5420	0.000	1	118.9374	10.029	13	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2)	124.0790	0.000	1	124.0790	0.000	1	118.9374	10.029	13	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]B[5])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[5,6]C[5,6]B[5])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2)	119.6820	0.000	1	119.6820	0.000	1	118.9374	10.029	13	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H){3|C<3>,3|H<1>}	H(C[6]C[6]2)	123.5340	0.000	1	123.5340	0.000	1	118.9374	10.029	13	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6]2)	121.0580	0.000	1	119.1026	5.892	5	118.9374	10.029	13	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2)	119.2550	0.000	1	119.1026	5.892	5	118.9374	10.029	13	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2)	115.5060	0.000	1	119.1026	5.892	5	118.9374	10.029	13	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6]2)	118.1620	0.000	1	119.1026	5.892	5	118.9374	10.029	13	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6]2)	121.5320	0.000	1	119.1026	5.892	5	118.9374	10.029	13	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2)	116.6080	0.000	1	115.6630	1.786	2	118.9374	10.029	13	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	H(C[6]C[6]2)	114.7180	0.000	1	115.6630	1.786	2	118.9374	10.029	13	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2)	113.9600	0.000	1	113.9600	0.000	1	118.9374	10.029	13	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|Se<4>,1|C<3>,1|H<1>}	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]H){1|H<1>,1|N<3>,1|N<4>,3|C<3>}	H(C[6]C[6]2)	118.5500	0.000	1	118.5500	0.000	1	118.9374	10.029	13	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2)	119.1380	0.000	1	119.1380	0.000	1	118.4348	4.075	4	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2)	120.4870	0.000	1	119.4540	2.134	2	118.4348	4.075	4	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2)	118.4210	0.000	1	119.4540	2.134	2	118.4348	4.075	4	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H){1|H<1>,3|C<3>}	H(C[6]C[6]2)	115.6930	0.000	1	115.6930	0.000	1	118.4348	4.075	4	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2)	124.4480	0.000	1	124.4480	0.000	1	120.5738	19.983	6	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|B<3>,1|C<3>}	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H){1|B<3>,1|C<2>,1|C<3>,1|H<1>,1|I<1>}	H(C[6]C[6]2)	112.9440	0.000	1	112.9440	0.000	1	120.5738	19.983	6	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2)	119.3660	0.000	1	121.6915	10.816	2	120.5738	19.983	6	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2)	124.0170	0.000	1	121.6915	10.816	2	120.5738	19.983	6	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H){1|B<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2)	123.8060	0.000	1	123.8060	0.000	1	120.5738	19.983	6	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6])(C[6]C[6]N)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6])(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H){1|O<2>,2|N<3>,3|C<3>}	H(C[6]C[6]2)	118.8620	0.000	1	118.8620	0.000	1	120.5738	19.983	6	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]C[6]2)	120.7730	0.000	1	120.7839	2.924	8	121.6031	4.926	14	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6]C[6]2)	120.0000	0.000	1	120.7839	2.924	8	121.6031	4.926	14	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2)	118.8920	0.000	1	120.7839	2.924	8	121.6031	4.926	14	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2)	120.6650	0.000	1	120.7839	2.924	8	121.6031	4.926	14	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]C[6]2)	121.4853	2.183	4	120.7839	2.924	8	121.6031	4.926	14	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]N[6]C)(H){1|Cd<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2)	122.5650	0.000	1	122.5650	0.000	1	121.6031	4.926	14	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2)	121.6180	0.000	1	123.7043	3.902	4	121.6031	4.926	14	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]N[6]H)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2)	125.3690	0.000	1	123.7043	3.902	4	121.6031	4.926	14	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]N[6]H)(H){1|Ru<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2)	122.4160	0.000	1	123.7043	3.902	4	121.6031	4.926	14	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]N[6]H)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2)	125.4140	0.000	1	123.7043	3.902	4	121.6031	4.926	14	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]N[6]H)(H)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]2)	118.7910	0.000	1	118.7910	0.000	1	121.6031	4.926	14	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	3:3:	3:	C[6]-2:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[5a,6])(C[6]N[6]C)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]N[5a,6])(C[6]N[6]C)(H){1|C<3>,1|N<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<3>,1|C<4>,2|N<2>}	H(C[6]C[6]2)	119.9670	0.000	1	119.9670	0.000	1	119.9670	0.000	1	120.3972	11.766	39	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	4:3:	3:	C[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2)	119.2570	0.000	1	119.2570	0.000	1	120.5755	3.477	2	120.5755	3.477	2	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	2:3:1:	4:3:	3:	C[6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2)	121.8940	0.000	1	121.8940	0.000	1	120.5755	3.477	2	120.5755	3.477	2	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	2:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6])(H)	C[6](C[6]C[6,6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6,6a])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2)	121.8000	0.000	1	121.8000	0.000	1	121.8000	0.000	1	117.6442	31.918	4	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	2:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-2:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]C)(C[6]N[6])(H)	C[6](N[6]C[6,6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a]C)(C[6]N[6])(H){2|C<3>}	C[6](N[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>}	H(C[6]C[6]2)	119.5610	0.000	1	119.5610	0.000	1	119.5610	0.000	1	117.6442	31.918	4	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	2:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6]Cd)(C[6]C[6])(H)	C[6](C[6]C[6,6])(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6]Cd)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6,6])(C[6]N[6]H){1|Cd<6>,1|C<2>,1|C<3>}	H(C[6]C[6]N[6])	109.2990	0.000	1	109.2990	0.000	1	114.6080	56.371	2	117.6442	31.918	4	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	2:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]Cu)(C[6]C[6])(H)	C[6](C[6]C[6,6a])(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]Cu)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6,6a])(C[6]N[6]H){1|Cu<6>,2|C<3>}	H(C[6]C[6]N[6])	119.9170	0.000	1	119.9170	0.000	1	114.6080	56.371	2	117.6442	31.918	4	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]N[6])	H(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]){1|Cu<6>,2|C<3>}	H(C[6]C[6,6a]C[6])	124.5890	0.000	1	124.5890	0.000	1	124.5890	0.000	1	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<3>}	H(C[6]C[6]2)	122.1180	0.000	1	122.1180	0.000	1	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]C[6])(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	122.6480	0.000	1	122.6480	0.000	1	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]B)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]B)(C[6]C[6])(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|B<4>,1|C<3>}	H(C[6]C[6]2)	114.2695	4.921	2	114.2695	24.214	2	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	127.6220	0.000	1	119.5857	67.477	3	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Te<5>,1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	111.2040	0.000	1	119.5857	67.477	3	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<4>,2|C<3>}	H(C[6]C[6]2)	119.9310	0.000	1	119.5857	67.477	3	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|P<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	H(C[6]C[6]2)	119.1140	0.000	1	121.3054	74.746	16	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|As<3>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	133.9270	0.000	1	121.3054	74.746	16	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	118.2375	2.743	2	121.3054	74.746	16	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	124.4950	0.000	1	121.3054	74.746	16	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]2)	118.5510	0.000	1	121.3054	74.746	16	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	H(C[6]C[6]2)	114.5393	10.019	4	121.3054	74.746	16	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<3>}	H(C[6]C[6]2)	127.9030	16.535	2	121.3054	74.746	16	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	128.8030	0.000	1	121.3054	74.746	16	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	H(C[6]C[6]2)	121.7015	3.313	2	121.3054	74.746	16	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	H(C[6]C[6]2)	122.1550	0.000	1	121.3054	74.746	16	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]){1|Zn<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	117.8230	0.000	1	118.2565	0.376	2	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]){1|C<2>,2|H<1>}	H(C[6]C[6]2)	118.6900	0.000	1	118.2565	0.376	2	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	119.8990	0.000	1	119.3865	0.525	2	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	118.8740	0.000	1	119.3865	0.525	2	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]2)	122.2325	2.788	2	122.2325	7.774	2	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|S<2>}	H(C[6]C[6]2)	122.5555	4.958	2	122.5555	24.577	2	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]Te)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]Te)(C[6]C[6])(H){1|C<2>,1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|Te<5>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	100.4060	0.000	1	100.4060	0.000	1	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]N[6]C)(C[6]C[6])(H){1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<4>,1|N<2>}	H(C[6]C[6]2)	120.5520	0.000	1	120.5520	0.000	1	119.9627	57.269	33	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:	C[6](C[6]C[6]2)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]N[6])(H){1|C<2>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	108.6280	0.000	1	109.7025	2.309	2	119.1214	18.018	14	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:	C[6](C[6]C[6]2)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]N[6])(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]){1|H<1>,2|C<3>}	H(C[6]C[6]2)	110.7770	0.000	1	109.7025	2.309	2	119.1214	18.018	14	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	119.2940	0.000	1	119.2940	0.000	1	119.1214	18.018	14	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,2|H<1>}	H(C[6]C[6]2)	121.2480	0.000	1	120.4314	0.791	8	119.1214	18.018	14	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	120.1090	0.000	1	120.4314	0.791	8	119.1214	18.018	14	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	120.6120	0.427	2	120.4314	0.791	8	119.1214	18.018	14	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,2|H<1>}	H(C[6]C[6]2)	121.3380	0.000	1	120.4314	0.791	8	119.1214	18.018	14	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|H<1>,2|C<3>}	H(C[6]C[6]2)	119.8440	1.154	3	120.4314	0.791	8	119.1214	18.018	14	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:	C[6](C[6]C[6]S)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]S)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,1|H<1>,1|S<2>}	H(C[6]C[6]2)	120.0060	0.000	1	120.0060	0.000	1	119.1214	18.018	14	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:2:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:	C[6]-3:	C[6](C[6]N[5a]C[6])(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])	H(C[6]C[6]2)	C[6](C[6]N[5a]C[6])(C[6]N[6])(H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,1|N<3>}	H(C[6]C[6]2)	122.7715	2.788	2	122.7715	7.774	2	119.1214	18.018	14	119.8137	44.619	48	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6])(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5,6]C[6])	125.0950	0.000	1	125.0950	0.000	1	121.8254	7.135	7	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]H){1|C<4>,2|C<3>}	H(C[6]C[5,6]C[6])	118.7240	0.000	1	118.7240	0.000	1	121.8254	7.135	7	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6])	124.3390	0.000	1	122.0125	7.174	4	121.8254	7.135	7	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[5,6]C[6])	124.3080	0.000	1	122.0125	7.174	4	121.8254	7.135	7	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6])	119.9830	0.000	1	122.0125	7.174	4	121.8254	7.135	7	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6])	119.4200	0.000	1	122.0125	7.174	4	121.8254	7.135	7	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]H)	H(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6])(H){1|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]H){1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6])	120.9090	0.000	1	120.9090	0.000	1	121.8254	7.135	7	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[5a,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]2)(C[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6])	121.6720	0.000	1	121.6720	0.000	1	118.6748	18.695	5	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[5a,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6])	120.0700	0.000	1	119.3480	1.043	2	118.6748	18.695	5	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[5a,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6])	118.6260	0.000	1	119.3480	1.043	2	118.6748	18.695	5	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[5a,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H){1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6])	111.2870	0.000	1	111.2870	0.000	1	118.6748	18.695	5	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[5a,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[5a,6]C[6])	121.7190	0.000	1	121.7190	0.000	1	118.6748	18.695	5	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6]-3:C[6]-2:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)	H(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6])	118.5223	2.865	3	118.5223	8.208	3	118.5223	8.208	3	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)	H(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]2)(C[6]C[6])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6])	118.2270	0.000	1	118.2270	0.000	1	119.1618	0.550	4	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)	H(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H){1|C<3>,1|H<1>,1|I<2>,2|C<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6])	118.9240	0.000	1	119.2735	0.244	2	119.1618	0.550	4	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)	H(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]C[6])	119.6230	0.000	1	119.2735	0.244	2	119.1618	0.550	4	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]N)	H(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]N){1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6])	119.8730	0.000	1	119.8730	0.000	1	119.1618	0.550	4	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]S[6a])(C[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]H)	H(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]S[6a])(C[6]C[6,6a])(H){4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6,6a]C[6])	116.8200	0.000	1	116.8200	0.000	1	116.8200	0.000	1	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]H)	H(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[5,6]H){1|C<4>,2|C<3>}	H(C[6]C[6,6a]C[6])	116.7420	0.000	1	116.7420	0.000	1	119.2106	11.957	14	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	H(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6])(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6])	118.4140	0.000	1	118.4140	0.000	1	119.2106	11.957	14	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)2	H(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)2{3|C<3>}	H(C[6]C[6,6a]C[6])	123.8655	4.120	2	123.8655	16.977	2	119.2106	11.957	14	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	H(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6])	115.8340	0.000	1	117.6518	15.769	4	119.2106	11.957	14	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	H(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6])	121.3520	0.000	1	117.6518	15.769	4	119.2106	11.957	14	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	H(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6])	120.4880	0.000	1	117.6518	15.769	4	119.2106	11.957	14	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	H(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){3|C<3>}	H(C[6]C[6,6a]C[6])	112.9330	0.000	1	117.6518	15.769	4	119.2106	11.957	14	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]S)	H(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]S){1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6])	119.1970	0.000	1	119.1970	0.000	1	119.2106	11.957	14	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)	H(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C){2|C<3>}	H(C[6]C[6,6a]C[6])	118.1440	4.837	2	118.1440	23.393	2	119.2106	11.957	14	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)	H(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H){1|Cu<4>,2|C<3>}	H(C[6]C[6,6a]C[6])	118.5160	0.000	1	118.5160	0.000	1	119.2106	11.957	14	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)	H(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|N<2>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H){4|C<3>}	H(C[6]C[6,6a]C[6])	120.1680	0.000	1	120.1680	0.000	1	119.2106	11.957	14	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	H(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|C<3>,1|N<2>}	H(C[6]C[6,6a]C[6])	121.2860	0.000	1	121.2860	0.000	1	119.2106	11.957	14	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5a,6]H)(C[6]C[6,6])(H)	C[6](C[6,6]C[5a,6,6]C[5,6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5a,6]H)(C[6]C[6,6])(H){3|C<3>}	C[6](C[6,6]C[5a,6,6]C[5,6])(C[6]C[6]H){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	H(C[6]C[6]2)	118.9960	0.000	1	118.9960	0.000	1	119.7345	1.091	2	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6,6])(H)	C[6](C[6,6]C[6,6,6a]P[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]C[6,6])(H){1|P<4>,2|C<3>}	C[6](C[6,6]C[6,6,6a]P[6])(C[6]C[6]H){1|H<1>,1|S<1>,2|C<3>,2|S<2>}	H(C[6]C[6]2)	120.4730	0.000	1	120.4730	0.000	1	119.7345	1.091	2	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6]H)(C[6]C[6,6a])(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6]C[6,6a])(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|P<3>,3|C<3>}	H(C[6]C[6]2)	119.0610	0.000	1	119.0610	0.000	1	119.8365	1.203	2	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6,6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a])(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,4|C<3>}	H(C[6]C[6]2)	120.6120	0.000	1	120.6120	0.000	1	119.8365	1.203	2	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[3]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[3]C[6])(C[6]C[6])(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	116.7800	0.000	1	116.7800	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[4]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[4]C[6])(C[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	123.0590	0.000	1	123.0590	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6]H)(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2)	120.2220	0.000	1	119.7802	13.080	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6]H)(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	117.6985	3.033	2	119.7802	13.080	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6]H)(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	117.9440	0.000	1	119.7802	13.080	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5,6]H)(C[6]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	125.3380	0.000	1	119.7802	13.080	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5]C[6])(C[6]C[6])(H){1|Fe<10>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	118.9660	0.000	1	118.9660	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]F)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5]C[6])(C[6]C[6])(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	125.3510	0.000	1	125.3510	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[5]C[6])(C[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	125.9530	0.000	1	121.8670	7.449	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[5]C[6])(C[6]C[6])(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	120.3900	0.000	1	121.8670	7.449	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[5]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{3|C<3>}	H(C[6]C[6]2)	120.5625	0.261	2	121.8670	7.449	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5a,6]H)(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5a,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2)	117.3360	0.000	1	118.5690	5.522	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5a,6]H)(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5a,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	118.3145	3.447	2	118.5690	5.522	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5a,6]H)(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[5a,6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	120.3110	0.000	1	118.5690	5.522	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	117.9030	0.000	1	121.1890	14.647	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	125.3910	0.000	1	121.1890	14.647	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	120.2730	0.000	1	121.1890	14.647	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6]H)(C[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6]H)(C[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	120.2060	0.000	1	119.9893	0.177	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6]H)(C[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	119.5040	0.000	1	119.9893	0.177	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6]H)(C[6]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	120.2580	0.000	1	119.9893	0.177	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6]H)(C[6]C[6])(H)	C[6](C[6]C[6,6]N)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6]H)(C[6]C[6])(H){1|N<3>,2|C<3>}	C[6](C[6]C[6,6]N)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	109.8230	0.000	1	109.8230	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a]C[6])(C[6]C[6])(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){3|C<3>}	H(C[6]C[6]2)	121.4730	0.000	1	121.4730	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	119.5160	0.000	1	119.7540	4.900	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	119.8730	3.117	2	119.7540	4.900	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6])(H)	C[6](C[6]C[6,6a]P)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]C[6])(H){1|P<4>,2|C<3>}	C[6](C[6]C[6,6a]P)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	114.5300	0.000	1	114.5300	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]N)(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a]N)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|N<3>,2|C<3>}	H(C[6]C[6]2)	118.6170	0.000	1	118.6170	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]C[6])(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2{2|C<3>}	H(C[6]C[6]2)	119.3630	0.075	2	122.6146	33.080	8	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	134.4400	0.000	1	122.6146	33.080	8	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	117.4430	0.000	1	122.6146	33.080	8	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]C[6])(H){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	117.9550	0.000	1	122.6146	33.080	8	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]C[6])(H){1|Te<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	127.2930	0.000	1	122.6146	33.080	8	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	122.5300	0.457	2	122.6146	33.080	8	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]As)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]As)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|As<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	122.3975	0.036	2	122.3975	0.001	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]B)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]B)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|B<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	119.0250	4.534	5	119.0250	20.558	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Be)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]Be)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Be<3>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	120.9180	0.000	1	120.9180	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]C[6])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H){1|Br<1>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2)	120.1000	0.000	1	120.1000	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	118.1075	3.347	2	118.1075	11.201	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	118.3773	5.093	3	120.6778	22.900	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	123.9850	0.000	1	120.6778	22.900	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	124.2720	0.000	1	120.6778	22.900	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	121.8040	2.098	3	121.3010	3.946	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	119.7920	0.000	1	121.3010	3.946	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	123.7140	0.000	1	119.5098	14.272	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>}	H(C[6]C[6]2)	117.8090	0.000	1	119.5098	14.272	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	120.1600	0.000	1	119.5098	14.272	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	117.9330	5.579	2	119.5098	14.272	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>}	H(C[6]C[6]2)	120.1460	0.529	2	119.1675	1.372	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|C<3>}	H(C[6]C[6]2)	118.1890	0.071	2	119.1675	1.372	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<2>,1|C<4>}	H(C[6]C[6]2)	118.7760	0.000	1	118.7134	7.652	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	118.6977	3.194	4	118.7134	7.652	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Cd<6>,2|C<3>}	H(C[6]C[6]2)	119.7690	0.000	1	118.8490	1.763	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|C<2>,1|C<3>}	H(C[6]C[6]2)	117.3270	0.000	1	118.8490	1.763	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,2|C<3>}	H(C[6]C[6]2)	119.4510	0.000	1	118.8490	1.763	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<4>}	H(C[6]C[6]2)	123.4270	0.000	1	121.6806	16.099	41	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2)	120.3490	3.154	4	121.6806	16.099	41	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2{2|C<3>}	H(C[6]C[6]2)	120.5820	5.564	3	121.6806	16.099	41	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2)	128.1890	0.000	1	121.6806	16.099	41	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	119.6075	2.030	2	121.6806	16.099	41	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	123.3565	0.350	2	121.6806	16.099	41	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	120.9257	2.471	3	121.6806	16.099	41	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	133.9500	0.000	1	121.6806	16.099	41	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	121.8350	0.000	1	121.6806	16.099	41	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	122.0512	4.487	13	121.6806	16.099	41	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	120.5418	2.382	9	121.6806	16.099	41	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	118.1160	0.000	1	121.6806	16.099	41	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	122.3870	0.000	1	120.6345	6.143	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	118.8820	0.000	1	120.6345	6.143	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Cl)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P)	H(C[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	117.2090	0.000	1	117.2090	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Ga)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]Ga)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Ga<3>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	121.5220	0.000	1	121.5220	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Ge)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]Ge)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Ge<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	119.4260	0.000	1	119.4260	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[3]C[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2)	126.8170	0.000	1	126.8170	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H){1|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2)	110.4310	0.000	1	113.7840	22.485	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2)	117.1370	0.000	1	113.7840	22.485	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2)	124.7740	0.000	1	121.9685	15.742	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2)	119.1630	0.000	1	121.9685	15.742	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6]C[6]2)	119.0720	0.000	1	116.2002	10.623	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H){1|Pd<4>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	117.2240	0.000	1	116.2002	10.623	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H){1|Se<2>,1|C<2>,1|C<3>,2|H<1>}	H(C[6]C[6]2)	111.5150	0.000	1	116.2002	10.623	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6]C[6]2)	116.9900	0.000	1	116.2002	10.623	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]As)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|As<3>,1|C<2>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,1|H<1>}	H(C[6]C[6]2)	114.6575	0.746	2	113.9153	71.145	6	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]As)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|As<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2)	97.6818	0.000	1	113.9153	71.145	6	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]As)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|As<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2)	118.8317	3.002	3	113.9153	71.145	6	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Au)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Au<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Au)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	119.5210	0.000	1	119.5210	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]B)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2)	114.9160	0.000	1	114.9160	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2)	119.9710	0.000	1	116.9331	18.922	37	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2)	119.3026	3.241	10	116.9331	18.922	37	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>}	H(C[6]C[6]2)	118.2850	0.000	1	116.9331	18.922	37	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	121.1745	2.102	2	116.9331	18.922	37	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2)	120.2340	0.000	1	116.9331	18.922	37	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	111.3920	0.000	1	116.9331	18.922	37	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2)	116.4408	4.783	5	116.9331	18.922	37	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<3>}	H(C[6]C[6]2)	117.5930	0.000	1	116.9331	18.922	37	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2)	115.9465	4.124	11	116.9331	18.922	37	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	111.6940	0.000	1	116.9331	18.922	37	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,1|H<1>,1|O<1>}	H(C[6]C[6]2)	116.9220	0.000	1	116.9331	18.922	37	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>}	H(C[6]C[6]2)	109.5090	0.000	1	116.9331	18.922	37	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|Te<5>,1|C<2>,1|H<1>}	H(C[6]C[6]2)	107.9360	0.000	1	116.9331	18.922	37	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Cu)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Cu<5>,1|C<4>}	C[6](C[6]C[6]Cu)(C[6]C[6]H){1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	120.2070	0.000	2	120.2070	0.000	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]F)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	121.9170	0.000	1	121.9170	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Ge)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Ge<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ge)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2)	110.2760	0.000	1	110.2760	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	H(C[6]C[6]2)	122.5210	0.000	1	118.3175	17.614	6	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	H(C[6]C[6]2)	119.3487	4.171	3	118.3175	17.614	6	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,2|H<1>}	H(C[6]C[6]2)	112.9680	0.000	1	118.3175	17.614	6	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	H(C[6]C[6]2)	116.3700	0.000	1	118.3175	17.614	6	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	120.8910	0.000	1	121.5082	20.671	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	H(C[6]C[6]2)	122.4150	0.000	1	121.5082	20.671	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|N<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	H(C[6]C[6]2)	120.2290	0.000	1	121.5082	20.671	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	128.3020	0.000	1	121.5082	20.671	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|C<3>}	H(C[6]C[6]2)	115.7040	0.000	1	121.5082	20.671	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,1|H<1>}	H(C[6]C[6]2)	118.1875	7.687	2	118.2023	8.694	29	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	H(C[6]C[6]2)	118.2260	2.727	25	118.2023	8.694	29	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<2>,2|H<1>}	H(C[6]C[6]2)	117.9205	2.377	2	118.2023	8.694	29	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|H<1>,1|S<2>}	H(C[6]C[6]2)	119.5585	7.537	4	121.0195	40.574	6	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,2|H<1>}	H(C[6]C[6]2)	125.7890	0.000	1	121.0195	40.574	6	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,2|H<1>}	H(C[6]C[6]2)	122.0940	0.000	1	121.0195	40.574	6	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]2)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]2){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2)	118.1430	0.000	1	118.1430	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|H<1>}	H(C[6]C[6]2)	121.4050	0.000	1	119.7742	11.545	9	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Cu<6>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	120.3240	0.000	1	119.7742	11.545	9	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|C<3>,2|H<1>}	H(C[6]C[6]2)	112.1130	0.000	1	119.7742	11.545	9	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Cu<5>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	122.3650	2.098	3	119.7742	11.545	9	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Pt<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	118.9000	0.000	1	119.7742	11.545	9	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Co<5>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	119.0520	0.000	1	119.7742	11.545	9	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|Zn<6>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	119.0790	0.000	1	119.7742	11.545	9	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	120.2460	0.000	1	119.7538	3.590	12	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	124.0000	0.000	1	119.7538	3.590	12	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	120.5120	0.000	1	119.7538	3.590	12	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	119.9540	0.000	1	119.7538	3.590	12	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	119.3610	0.000	1	119.7538	3.590	12	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<2>,2|H<1>}	H(C[6]C[6]2)	120.0320	0.000	1	119.7538	3.590	12	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	119.6980	0.000	1	119.7538	3.590	12	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	117.8935	0.976	4	119.7538	3.590	12	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	121.6680	0.000	1	119.7538	3.590	12	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]N)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,1|H<1>}	H(C[6]C[6]2)	122.4960	0.000	1	120.6873	1.479	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]N)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N){1|Ni<6>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	119.8590	0.000	1	120.6873	1.479	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]N)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N){1|Ru<9>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	120.1970	0.000	2	120.6873	1.479	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|As<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2)	121.7125	3.771	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2)	120.0555	0.383	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2)	119.2915	3.388	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<2>}	H(C[6]C[6]2)	122.4040	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2)	121.0794	4.345	41	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2)	118.2215	1.404	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	114.7560	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2{1|Pd<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	119.6440	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	121.5895	2.037	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	127.7825	9.702	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2)	119.9210	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2)	123.7656	7.819	14	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	121.8570	4.926	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<4>}	H(C[6]C[6]2)	121.7800	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2)	119.1680	0.160	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	119.2310	7.706	3	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2)	120.7830	2.082	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2)	118.5160	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2)	120.4524	4.169	28	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<2>}	H(C[6]C[6]2)	115.2980	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2)	119.6980	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	112.8800	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	123.5240	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|H<1>,1|N<2>}	H(C[6]C[6]2)	123.9920	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|H<1>,1|P<4>}	H(C[6]C[6]2)	117.7960	4.917	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,2|H<1>}	H(C[6]C[6]2)	123.2175	6.172	10	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|Sn<5>,1|C<2>,1|H<1>}	H(C[6]C[6]2)	117.7900	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|As<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	122.5335	2.091	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|B<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	126.3654	5.303	5	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Be<3>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	127.0930	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	117.7786	7.618	18	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	117.4076	8.134	5	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2)	117.3913	15.921	3	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<3>}	H(C[6]C[6]2)	128.6410	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]2)	120.7283	4.506	35	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<2>}	H(C[6]C[6]2)	121.3650	10.332	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]2)	126.4600	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2)	120.3823	2.863	57	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Ga<3>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	125.6360	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Ge<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	119.7410	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	119.2863	4.246	16	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Sb<5>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	124.4090	0.860	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Se<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	126.0545	4.675	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	120.4493	5.649	9	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Sn<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	120.8770	2.066	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Sn<5>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	125.1600	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2{1|Al<7>,1|C<3>,1|H<1>,1|H<2>}	H(C[6]C[6]2)	119.7500	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	118.0440	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Ge<4>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2)	123.3320	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	119.7950	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	130.6190	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2)	118.6819	2.827	20	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	118.5510	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Si<4>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2)	123.5970	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2)	119.7825	0.834	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2)	121.7040	18.627	2	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Te<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	122.5400	0.000	1	120.6581	25.670	324	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2)	122.9140	0.181	2	121.3667	7.199	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H){1|Pd<4>,1|C<2>,1|H<1>,2|C<3>}	H(C[6]C[6]2)	118.2720	0.000	1	121.3667	7.199	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]P[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]C[6]2)	120.9140	0.000	1	120.9140	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Se)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Se<3>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Se)(C[6]C[6]H){1|C<3>,1|H<1>}	H(C[6]C[6]2)	117.4495	0.853	2	117.4495	0.728	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Sn)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Sn)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2)	117.0270	0.000	1	118.5600	4.700	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Sn)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Sn<5>,1|C<3>}	C[6](C[6]C[6]Sn)(C[6]C[6]H){1|C<2>,2|H<1>}	H(C[6]C[6]2)	120.0930	0.000	1	118.5600	4.700	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Te)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Te<5>,1|C<3>}	C[6](C[6]C[6]Te)(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	113.4530	0.000	1	113.4530	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2)	114.8720	0.000	1	121.8110	42.674	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2)	127.8420	0.000	1	121.8110	42.674	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2)	122.7190	0.000	1	121.8110	42.674	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Si<5>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Si)(C[6]C[6]H){1|Cu<6>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	114.6400	0.000	1	114.6400	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	H(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	121.7610	0.000	1	119.1823	5.041	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	H(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	118.1260	0.000	1	119.1823	5.041	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)	H(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,1|H<1>,1|N<4>}	H(C[6]C[6]2)	117.6600	0.000	1	119.1823	5.041	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	116.1630	0.000	1	116.1630	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	116.7800	0.000	1	116.7800	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	122.4555	7.960	2	119.3844	26.832	10	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<4>}	H(C[6]C[6]2)	117.3400	0.000	1	119.3844	26.832	10	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|H<1>,1|N<2>}	H(C[6]C[6]2)	121.5250	0.000	1	119.3844	26.832	10	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	117.1860	6.304	4	119.3844	26.832	10	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|N<3>}	H(C[6]C[6]2)	118.5780	0.000	1	119.3844	26.832	10	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	122.7460	0.000	1	119.3844	26.832	10	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N[5])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]I)	H(C[6]C[6]2)	C[6](C[6]C[6]N[5])(C[6]C[6])(H){1|H<1>,1|I<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]I){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	126.5790	0.000	1	126.5790	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N[5])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]2)	C[6](C[6]C[6]N[5])(C[6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	119.9510	0.000	1	119.9510	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	119.3620	0.000	1	119.3620	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	120.1520	0.000	1	120.8747	33.542	6	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	130.6540	0.000	1	120.8747	33.542	6	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	116.7310	0.000	1	120.8747	33.542	6	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	118.8980	0.000	1	120.8747	33.542	6	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	119.4065	6.795	2	120.8747	33.542	6	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2)	121.0320	0.000	1	121.0320	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2)	127.7860	0.000	1	122.6563	19.769	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2)	119.9070	0.000	1	122.6563	19.769	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2)	120.2760	0.000	1	122.6563	19.769	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>}	H(C[6]C[6]2)	119.9810	0.000	1	122.3640	5.996	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<2>,1|H<1>,1|O<1>}	H(C[6]C[6]2)	124.4760	0.000	2	122.3640	5.996	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|O<2>,1|S<3>}	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<2>,1|S<3>}	H(C[6]C[6]2)	120.5230	0.000	1	122.3640	5.996	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2)	122.4890	0.000	1	122.2616	11.311	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2)	123.2590	0.000	1	122.2616	11.311	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2)	121.8533	4.674	3	122.2616	11.311	5	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]N[4])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[4])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2)	120.2130	0.000	1	120.2130	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|P<4>}	H(C[6]C[6]2)	123.5185	3.003	2	122.4570	7.890	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]2)	120.3340	0.000	1	122.4570	7.890	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]F)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H){1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]2)	118.3835	4.810	2	118.3835	23.140	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|P<4>}	H(C[6]C[6]2)	118.8080	0.601	2	120.0587	8.141	39	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<2>,1|H<1>,1|P<4>}	H(C[6]C[6]2)	120.5050	3.769	2	120.0587	8.141	39	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<3>}	H(C[6]C[6]2)	125.8380	0.000	1	120.0587	8.141	39	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]2)	119.9361	2.793	34	120.0587	8.141	39	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]P[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]P[6])(C[6]C[6])(H){2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]2)	117.9970	0.000	1	117.9970	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Pd)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]Pd)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2{1|Pd<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	118.9370	0.000	1	118.9370	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]2)	119.2420	0.000	1	119.2420	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|S<2>}	H(C[6]C[6]2)	125.3900	0.000	1	125.3900	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<2>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2{1|C<3>,1|S<2>}	H(C[6]C[6]2)	123.7370	0.000	1	123.1257	3.861	8	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|S<4>}	H(C[6]C[6]2)	122.8700	0.502	2	123.1257	3.861	8	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<2>}	H(C[6]C[6]2)	125.8540	0.000	1	123.1257	3.861	8	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<2>}	H(C[6]C[6]2)	122.2230	0.000	1	123.1257	3.861	8	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<2>}	H(C[6]C[6]2)	121.2815	2.846	2	123.1257	3.861	8	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]2)	124.8890	0.000	1	123.1257	3.861	8	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Sb)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]Sb)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Sb<5>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	118.4890	1.421	2	118.4890	2.020	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Se)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]Se)(C[6]C[6])(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)2{1|Se<3>,1|C<2>}	H(C[6]C[6]2)	118.1810	0.000	1	119.5563	3.340	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Se)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]Se)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Se<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	120.2440	1.960	2	119.5563	3.340	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>}	H(C[6]C[6]2)	120.8585	2.265	2	120.0493	5.457	10	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	119.8470	2.459	8	120.0493	5.457	10	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Sn)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]Sn)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|Sn<5>,1|C<2>,1|H<1>}	H(C[6]C[6]2)	121.4470	0.000	1	122.2165	3.114	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Sn)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]Sn)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Sn<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	121.9145	2.584	2	122.2165	3.114	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]Sn)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]Sn)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Sn<5>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	123.5900	0.000	1	122.2165	3.114	4	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6a]C[6])(C[6]C[6])(H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<2>,1|C<3>}	H(C[6]C[6]2)	120.4440	0.000	1	122.8980	10.063	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6a]C[6])(C[6]C[6])(H){1|C<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	126.4800	0.000	1	122.8980	10.063	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6a]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2)	121.7700	0.000	1	122.8980	10.063	3	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6a]N[6])(C[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2)	119.0540	0.000	1	120.5335	4.378	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6a]N[6])(C[6]C[6])(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	122.0130	0.000	1	120.5335	4.378	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[5a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[5a]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	125.9810	0.000	1	125.9810	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[5a]C[6])(C[6]C[6])(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]N[5a]C[6])(C[6]C[6])(H){1|N<3>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2)	120.6660	0.000	1	120.6660	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]Br)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]Br)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Br<1>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	122.7670	0.000	1	122.7670	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]C)(C[6]C[6])(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	120.3240	0.000	1	124.7130	29.256	10	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2)	118.6720	1.587	3	124.7130	29.256	10	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	129.8850	3.767	3	124.7130	29.256	10	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]C)(C[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	128.7920	0.000	1	124.7130	29.256	10	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]C)(C[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	126.1760	0.000	1	124.7130	29.256	10	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]C)(C[6]C[6])(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	126.1670	0.000	1	124.7130	29.256	10	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	H(C[6]C[6]2)	124.5030	0.000	1	122.1555	11.022	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|N<2>,2|H<1>}	H(C[6]C[6]2)	119.8080	0.000	1	122.1555	11.022	2	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|H<1>,1|N<2>,1|S<2>}	H(C[6]C[6]2)	113.1190	0.000	1	113.1190	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	120.2190	0.000	1	121.4275	15.954	23	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2)	129.3750	0.000	1	121.4275	15.954	23	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2)	119.4113	1.573	3	121.4275	15.954	23	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|N<2>,2|H<1>}	H(C[6]C[6]2)	120.6345	0.142	2	121.4275	15.954	23	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Br<1>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	118.8280	0.000	1	121.4275	15.954	23	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	119.2813	1.319	3	121.4275	15.954	23	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	115.7590	0.000	1	121.4275	15.954	23	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	133.5290	0.000	1	121.4275	15.954	23	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	H(C[6]C[6]2)	121.3320	1.440	2	121.4275	15.954	23	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	123.1900	0.000	1	121.4275	15.954	23	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	121.4790	0.000	1	121.4275	15.954	23	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	126.4610	0.000	1	121.4275	15.954	23	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	119.4600	0.413	2	121.4275	15.954	23	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	119.8495	2.529	2	121.4275	15.954	23	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	125.3630	0.000	1	121.4275	15.954	23	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]N[6]N)(C[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H){3|N<3>}	H(C[6]C[6]2)	130.0260	0.000	1	130.0260	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]N[6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]N[6a]C[6])(C[6]C[6])(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	121.0680	0.000	1	121.0680	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]Si[6]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]Si[6]C[6])(C[6]C[6])(H){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	122.7530	0.000	1	122.7530	0.000	1	120.2895	20.934	748	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]N[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	122.9460	0.000	1	122.3395	0.736	2	119.2727	7.517	6	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]N[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	121.7330	0.000	1	122.3395	0.736	2	119.2727	7.517	6	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]C)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	H(C[6]C[6]2)	117.6860	0.000	1	117.6860	0.000	1	119.2727	7.517	6	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,1|H<1>}	H(C[6]C[6]2)	116.3460	0.000	1	117.7570	4.314	3	119.2727	7.517	6	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	116.7830	0.000	1	117.7570	4.314	3	119.2727	7.517	6	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,2|H<1>}	H(C[6]C[6]2)	120.1420	0.000	1	117.7570	4.314	3	119.2727	7.517	6	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6]H)(C[6]N[6])(H)	C[6](N[6]C[6,6]Cd)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6]H)(C[6]N[6])(H){1|Cd<6>,1|C<2>,1|C<3>}	C[6](N[6]C[6,6]Cd)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	116.2535	0.013	2	116.2535	0.000	2	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]C)(C[6]N[6])(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a]C)(C[6]N[6])(H){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,2|C<3>}	H(C[6]C[6]2)	119.9860	0.000	1	119.9860	0.000	1	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]N[6])(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]N[6])(H){1|Cu<5>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	118.7185	3.734	2	118.7185	13.944	2	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]N[6])(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]N[6])(H){1|Pt<4>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	116.1030	0.000	1	116.1030	0.000	1	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]N[6])(H){1|Mg<4>,1|C<2>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H){1|C<3>,1|C<4>}	H(C[6]C[6]2)	119.2630	0.134	2	119.2630	0.018	2	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]N[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2)	115.5730	0.000	1	115.5730	0.000	1	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]N[6])(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H){3|C<3>}	H(C[6]C[6]2)	120.7830	0.000	1	120.7830	0.000	1	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Cu<5>,1|C<2>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|H<1>}	H(C[6]C[6]2)	114.3855	8.288	2	115.8978	17.822	6	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2)	119.2960	0.000	1	115.8978	17.822	6	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	115.7733	1.458	3	115.8978	17.822	6	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2)	125.5640	0.000	1	125.5640	0.000	1	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]2)	120.3110	0.000	1	120.3110	0.000	1	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2)	121.2980	0.000	1	121.2980	0.000	1	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2)	118.9090	0.000	1	118.9090	0.000	1	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]N[6])(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]N[6])(H){1|Ni<6>,1|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H){1|C<2>,1|C<4>,1|N<3>}	H(C[6]C[6]2)	117.4450	0.000	1	117.4450	0.000	1	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6])(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6a]C[6])(C[6]N[6])(H){1|Mn<6>,1|N<2>,2|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2)	117.0370	0.000	1	117.0370	0.000	1	118.0394	11.264	22	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5a,6]H)(C[6]C[6])(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a,6]H)(C[6]N[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	121.9720	0.000	1	121.9720	0.000	1	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]Cu)(C[6]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]Cu)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]H){1|Cu<4>,2|C<3>}	H(C[6]C[6]N[6])	123.5090	0.000	1	123.5090	0.000	1	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Ag)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ag)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H){1|Ag<3>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	116.0450	0.000	1	116.0450	0.000	1	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]C)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	123.4020	0.000	1	123.4020	0.000	1	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	122.6650	4.750	4	123.9172	24.761	5	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	128.9260	0.000	1	123.9172	24.761	5	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Cd)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Cd)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Cd<6>,2|C<3>}	H(C[6]C[6]N[6])	116.6010	0.000	1	116.6010	0.000	1	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Co)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Co)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|C<2>,1|C<3>}	H(C[6]C[6]N[6])	118.5560	0.000	1	118.5560	0.000	1	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Cu)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Cu)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	121.1340	0.000	1	121.1340	0.000	1	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.1280	1.082	2	120.6987	1.562	3	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	121.8400	0.000	1	120.6987	1.562	3	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<2>,2|H<1>}	H(C[6]C[6]N[6])	120.2420	0.000	1	120.3910	0.044	2	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.5400	0.000	1	120.3910	0.044	2	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Ir)(C[6]C[6])(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ir)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]N[6]H){2|Ir<8>,3|C<3>}	H(C[6]C[6]N[6])	118.3360	0.000	1	118.3360	0.000	1	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Mn)(C[6]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Mn)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H){1|Mn<6>,1|C<2>,1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	123.2570	0.000	1	123.2570	0.000	1	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Ni)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ni)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.2090	0.000	1	119.2090	0.000	1	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Pd)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Pd)(C[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>}	H(C[6]C[6]N[6])	124.5240	0.000	1	123.2327	0.958	4	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Pd)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Pd)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	123.4600	0.000	1	123.2327	0.958	4	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Pd)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Pd)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,2|C<3>}	H(C[6]C[6]N[6])	122.4540	0.000	1	123.2327	0.958	4	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Pd)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Pd)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	122.4930	0.000	1	123.2327	0.958	4	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Pt)(C[6]C[6])(H)	C[6](C[6]N[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]Pt)(C[6]C[6])(H){1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]N[6]H)2{1|Pt<4>,1|C<3>}	H(C[6]C[6]N[6])	121.6840	0.000	1	121.6840	0.000	1	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Zn)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Zn)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	118.5110	0.000	1	118.8340	0.209	2	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Zn)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Zn)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.1570	0.000	1	118.8340	0.209	2	121.3618	9.747	27	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-3:	C[6]-3:	C[6](N[6]C[6]Cu)(C[6]N[6])(H)	C[6](C[6]N[6]H)(N[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Cu)(C[6]N[6])(H){1|H<1>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6]H){1|Cu<4>,2|C<3>}	H(C[6]C[6]N[6])	119.2420	0.000	1	119.2420	0.000	1	119.2420	0.000	1	120.2237	19.831	842	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	4:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]CuC)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Cu<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]CuC)(C[6]C[6]H){1|C<2>,1|H<1>}	H(C[6]C[6]2)	113.8420	0.000	2	116.9035	12.497	4	118.4173	6.768	9	118.4173	6.768	9	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	4:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]CuC)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Cu<5>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CuC)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2)	119.9650	0.000	2	116.9035	12.497	4	118.4173	6.768	9	118.4173	6.768	9	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	3:2:1:	4:3:	3:	C[6]-3:C[6]-2:H-1:	C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]2)	119.6284	0.193	5	119.6284	0.037	5	118.4173	6.768	9	118.4173	6.768	9	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	4:2:1:	3:2:	3:	C[6]-4:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6]RhH)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6]RhH)(C[6]C[6])(H){2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|Rh<5>,1|C<3>,2|H<1>}	H(C[6]C[6]2)	120.6440	0.000	1	120.6440	0.000	1	120.4870	0.049	2	120.4870	0.049	2	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	4:2:1:	3:2:	3:	C[6]-4:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6]-3:	C[6](C[6]C[6a]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])	H(C[6]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6]C[6])(H){4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){2|C<3>,2|H<1>}	H(C[6]C[6]2)	120.3300	0.000	1	120.3300	0.000	1	120.4870	0.049	2	120.4870	0.049	2	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	4:2:1:	3:3:	3:	C[6]-4:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]AlH)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]AlH)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2{1|Al<7>,1|C<3>,1|H<1>,1|H<2>}	H(C[6]C[6]2)	118.9450	0.000	1	118.9450	0.000	1	121.5353	7.036	3	121.5353	7.036	3	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	4:2:1:	3:3:	3:	C[6]-4:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]CH)(C[6]C[6])(H)	C[6](C[6]C[6]H)2	H(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2)	124.2460	0.000	1	124.2460	0.000	1	121.5353	7.036	3	121.5353	7.036	3	120.1726	21.052	1011	120.1822	21.125	1012
762	206	951	0:SP2_SP-NON_SP1	C[6]	C[6]	H	4:2:1:	3:3:	3:	C[6]-4:C[6]-2:H-1:	C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]ZrN)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]2)	C[6](C[6]C[6]ZrN)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|Zr<13>,1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2)	121.4150	0.000	1	121.4150	0.000	1	121.5353	7.036	3	121.5353	7.036	3	120.1726	21.052	1011	120.1822	21.125	1012
762	206	952	0:SP2_SP1_SP3	C[6]	C[6]	S	2:2:4:	3:2:	3:1:1:1:	C[6]-2:C[6]-2:S-4:	C[6]-3:C[6]-2:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6])2(SO3)	C[6](C[6]C[6]S)(C[6]C[6])	S(C[6]C[6]2)(O)3	C[6](C[6]C[6])2(SO3){1|C<3>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	S(C[6]C[6]2)(O)3	120.0640	0.927	8	120.0640	0.859	8	120.0640	0.859	8	120.0640	0.859	8	119.5360	1.034	32	119.5360	1.034	32
762	206	952	0:SP2_SP1_SP3	C[6]	C[6]	S	2:2:4:	3:2:	3:2:1:1:	C[6]-2:C[6]-2:S-4:	C[6]-3:C[6]-2:	C[6]-3:C-2:O-1:O-1:	C[6](C[6]C[6])2(SCOO)	C[6](C[6]C[6]S)(C[6]C[6])	S(C[6]C[6]2)(CN)(O)2	C[6](C[6]C[6])2(SCOO){1|C<3>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	S(C[6]C[6]2)(CN)(O)2	119.2000	0.288	2	119.2000	0.083	2	119.2000	0.083	2	119.1106	0.128	8	119.5360	1.034	32	119.5360	1.034	32
762	206	952	0:SP2_SP1_SP3	C[6]	C[6]	S	2:2:4:	3:2:	3:2:1:1:	C[6]-2:C[6]-2:S-4:	C[6]-3:C[6]-2:	C[6]-3:N-2:O-1:O-1:	C[6](C[6]C[6])2(SNOO)	C[6](C[6]C[6]S)(C[6]C[6])	S(C[6]C[6]2)(NS)(O)2	C[6](C[6]C[6])2(SNOO){1|C<3>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	S(C[6]C[6]2)(NS)(O)2	119.1880	0.335	2	119.1880	0.112	2	119.1880	0.112	2	119.1106	0.128	8	119.5360	1.034	32	119.5360	1.034	32
762	206	952	0:SP2_SP1_SP3	C[6]	C[6]	S	2:2:4:	3:2:	3:2:1:1:	C[6]-2:C[6]-2:S-4:	C[6]-3:C[6]-2:	C[6]-3:O-2:O-1:O-1:	C[6](C[6]C[6])2(SO3)	C[6](C[6]C[6]S)(C[6]C[6])	S(C[6]C[6]2)(OC)(O)2	C[6](C[6]C[6])2(SO3){1|C<3>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	S(C[6]C[6]2)(OC)(O)2	119.0272	0.463	4	119.0272	0.215	4	119.0272	0.215	4	119.1106	0.128	8	119.5360	1.034	32	119.5360	1.034	32
762	206	952	0:SP2_SP1_SP3	C[6]	C[6]	S	2:2:4:	3:2:	3:3:1:1:	C[6]-2:C[6]-2:S-4:	C[6]-3:C[6]-2:	C[6]-3:N[5]-3:O-1:O-1:	C[6](C[6]C[6])2(SN[5]OO)	C[6](C[6]C[6]S)(C[6]C[6])	S(C[6]C[6]2)(N[5]C[5]2)(O)2	C[6](C[6]C[6])2(SN[5]OO){1|C<3>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	S(C[6]C[6]2)(N[5]C[5]2)(O)2	119.6266	0.754	8	119.6266	0.568	8	119.6266	0.568	8	119.6266	0.568	8	119.5360	1.034	32	119.5360	1.034	32
762	206	952	0:SP2_SP1_SP3	C[6]	C[6]	S	3:2:4:	3:2:	3:3:1:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-2:	C[6]-3:N[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO)	C[6](C[6]C[6]S)(C[6]C[6])	S(C[6]C[6]2)(N[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	S(C[6]C[6]2)(N[6]C[6]2)(O)2	120.1150	0.000	1	120.1150	0.000	1	120.1150	0.000	1	120.1150	0.000	1	119.5360	1.034	32	119.5360	1.034	32
762	206	952	0:SP2_SP1_SP3	C[6]	C[6]	S	3:2:4:	3:3:	3:1:1:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:	C[6]-3:O-1:O-1:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6])(SO3)	C[6](C[6]C[6,6a]H)(C[6]C[6]S)	S(C[6]C[6]2)(O)3	C[6](C[6]C[6,6a]H)(C[6]C[6])(SO3){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]S){1|H<1>,2|C<3>}	S(C[6]C[6]2)(O)3	115.8940	0.000	1	115.8940	0.000	1	115.8940	0.000	1	115.8940	0.000	1	119.5360	1.034	32	119.5360	1.034	32
762	206	952	0:SP2_SP1_SP3	C[6]	C[6]	S	3:2:4:	3:3:	3:3:1:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(SC[6]OO)	C[6](C[6]C[6]Br)(C[6]C[6]S)	S(C[6]C[6]2)2(O)2	C[6](C[6]C[6]H)(C[6]C[6])(SC[6]OO){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]S){1|C<3>,1|H<1>,1|O<2>}	S(C[6]C[6]2)2(O)2	118.6660	0.000	1	118.6660	0.000	1	118.6660	0.000	1	119.9098	0.749	5	119.5360	1.034	32	119.5360	1.034	32
762	206	952	0:SP2_SP1_SP3	C[6]	C[6]	S	3:2:4:	3:3:	3:3:1:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:	C[6]-3:N-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(SNOO)	C[6](C[6]C[6]H)(C[6]C[6]S)	S(C[6]C[6]2)(NCC)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(SNOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6]C[6]2)(NCC)(O)2	119.7550	0.000	1	119.7550	0.000	1	119.9380	0.067	2	119.9098	0.749	5	119.5360	1.034	32	119.5360	1.034	32
762	206	952	0:SP2_SP1_SP3	C[6]	C[6]	S	3:2:4:	3:3:	3:3:1:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:	C[6]-3:N-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(SNOO)	C[6](C[6]C[6]H)(C[6]C[6]S)	S(C[6]C[6]2)(NC[6a]C)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(SNOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6]C[6]2)(NC[6a]C)(O)2	120.1210	0.000	1	120.1210	0.000	1	119.9380	0.067	2	119.9098	0.749	5	119.5360	1.034	32	119.5360	1.034	32
762	206	952	0:SP2_SP1_SP3	C[6]	C[6]	S	3:2:4:	3:3:	3:3:1:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:	C[6]-3:N[5]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(SN[5]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)	S(C[6]C[6]2)(N[5]C[5]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(SN[5]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6]C[6]2)(N[5]C[5]2)(O)2	119.9220	0.000	1	119.9220	0.000	1	119.9220	0.000	1	119.9098	0.749	5	119.5360	1.034	32	119.5360	1.034	32
762	206	952	0:SP2_SP1_SP3	C[6]	C[6]	S	3:2:4:	3:3:	3:3:1:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)	S(C[6]C[6]2)(N[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6]C[6]2)(N[6]C[6]2)(O)2	121.0850	0.000	1	121.0850	0.000	1	121.0850	0.000	1	119.9098	0.749	5	119.5360	1.034	32	119.5360	1.034	32
762	206	952	0:SP2_SP1_SP3	C[6]	C[6]	S	3:2:4:	3:3:	4:3:1:1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:	C[5]-4:C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(SC[5]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)	S(C[5]C[5]2H)(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(SC[5]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,2|H<1>}	S(C[5]C[5]2H)(C[6]C[6]2)(O)2	119.1850	0.000	1	119.1850	0.000	1	119.1850	0.000	1	119.1850	0.000	1	119.5360	1.034	32	119.5360	1.034	32
762	206	953	0:SP2_SP-NON_SP1	C[6]	C[6]	I	3:2:2:	3:3:	3:3:	C[6,6]-3:C[6]-2:I-2:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(IC[6a])	C[6](C[6]C[6,6]I)(C[6]C[6]H)	I(C[6]C[6,6]C[6])(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(IC[6a]){1|C<3>,2|C<2>,2|H<1>}	C[6](C[6]C[6,6]I)(C[6]C[6]H){2|C<3>}	I(C[6]C[6,6]C[6])(C[6a]C[6a]2)	116.4960	0.000	1	116.4960	0.000	1	116.4960	0.000	1	116.4960	0.000	1	116.4960	0.000	1	116.4960	0.000	1
762	206	955	0:SP2_SP1_SP3	C[6]	C[6]	P[5]	4:2:2:	3:2:	3:4:3:3:	P[5]-4:C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6a]-3:C[5]-4:C[6]-3:N[5]-3:	C[6](P[5]C[6a]C[5]N[5])(C[6]C[6])2	C[6](C[6]C[6]P[5])(C[6]C[6])	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]P)	C[6](P[5]C[6a]C[5]N[5])(C[6]C[6])2{1|C<2>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]P[5])(C[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	P[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]P){2|C<2>,2|C<3>,6|H<1>}	116.0845	2.627	2	116.0845	6.901	2	116.0845	6.901	2	116.0845	6.901	2	116.0845	6.901	2	116.0845	6.901	2
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	2:2:3:	3:2:	3:1:1:	C[6]-2:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:C-1:C-1:	C[6](C[6]C[6])2(NCC)	C[6](C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)(C)2	C[6](C[6]C[6])2(NCC){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	N(C[6]C[6]2)(C)2	121.3713	1.148	8	121.3713	1.319	8	121.3713	1.319	8	120.4181	2.080	16	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	2:2:3:	3:2:	3:1:1:	C[6]-2:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6])2(NOO)	C[6](C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)(O)2	C[6](C[6]C[6])2(NOO){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	N(C[6]C[6]2)(O)2	119.8222	0.910	6	119.4650	1.062	8	119.4650	1.062	8	120.4181	2.080	16	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	2:2:3:	3:2:	3:1:1:	C[6]-2:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6])2(NOO)	C[6](C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)(O)2	C[6](C[6]C[6])2(NOO){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|N<3>}	N(C[6]C[6]2)(O)2	118.3935	0.483	2	119.4650	1.062	8	119.4650	1.062	8	120.4181	2.080	16	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	2:2:3:	3:2:	3:3:3:	C[6]-2:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6])2(NC[6]2)	C[6](C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)3	C[6](C[6]C[6])2(NC[6]2){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	N(C[6]C[6]2)3	121.0037	0.933	4	120.7791	0.534	12	120.7791	0.534	12	120.7791	0.534	12	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	2:2:3:	3:2:	3:3:3:	C[6]-2:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6])2(NC[6]2)	C[6](C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)3	C[6](C[6]C[6])2(NC[6]2){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|O<2>}	N(C[6]C[6]2)3	120.6667	0.651	8	120.7791	0.534	12	120.7791	0.534	12	120.7791	0.534	12	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	2:3:3:	3:3:	3:4:1:	C[6]-2:C[6]-3:N-3:	C[6,6]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6,6])(C[6]C[6]C)(NCH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)	N(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6,6])(C[6]C[6]C)(NCH){1|C<3>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N){1|C<2>,3|C<3>}	N(C[6]C[6]2)(CCHH)(H)	120.1920	0.000	1	120.1920	0.000	1	120.1920	0.000	1	120.1920	0.000	1	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:3:	3:2:	3:1:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[5]C[6])(C[6]C[6])(NOO)	C[6](C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)(O)2	C[6](C[6]C[5]C[6])(C[6]C[6])(NOO){1|C<3>,2|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	N(C[6]C[6]2)(O)2	114.4850	0.000	1	114.4850	0.000	1	114.4850	0.000	1	114.4850	0.000	1	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:3:	3:2:	3:3:2:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:N-3:C-2:	C[6](C[6]C[6]Ir)(C[6]C[6])(NCN)	C[6](C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)(NIrC)(CC)	C[6](C[6]C[6]Ir)(C[6]C[6])(NCN){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|Ir<6>,1|C<2>}	N(C[6]C[6]2)(NIrC)(CC)	124.6140	0.000	1	124.6140	0.000	1	124.6140	0.000	1	124.6140	0.000	1	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:3:	3:2:	3:4:4:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)(C[6]C[6])(NCC)	C[6](C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)(CCHH)2	C[6](C[6]C[6]H)(C[6]C[6])(NCC){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]){1|H<1>,2|C<3>}	N(C[6]C[6]2)(CCHH)2	121.7130	0.000	1	121.7130	0.000	1	121.7130	0.000	1	121.7130	0.000	1	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(NOO){3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N){1|C<3>,2|H<1>}	N(C[6]C[6]2)(O)2	121.8800	0.000	1	121.8800	0.000	1	119.4392	3.786	5	119.4392	3.786	5	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,1|C<3>,1|H<1>}	N(C[6]C[6]2)(O)2	119.0400	0.000	1	119.3010	0.136	2	119.4392	3.786	5	119.4392	3.786	5	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]2)(O)2	119.5620	0.000	1	119.3010	0.136	2	119.4392	3.786	5	119.4392	3.786	5	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]N)2	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2{1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	120.1830	0.000	1	120.1830	0.000	1	119.4392	3.786	5	119.4392	3.786	5	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:3:	3:3:	3:1:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]O)(C[6]C[6])(NOO)	C[6](C[6]C[6]N)2	N(C[6]C[6]2)(O)2	C[6](C[6]C[6]O)(C[6]C[6])(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2{1|C<3>,1|H<1>,1|O<1>}	N(C[6]C[6]2)(O)2	116.5310	0.000	1	116.5310	0.000	1	119.4392	3.786	5	119.4392	3.786	5	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)	N(C[6]C[6]2)(CC[6a]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CC[6a]S)(H)	122.1500	0.000	1	122.1500	0.000	1	120.2595	7.148	2	120.2595	7.148	2	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)	N(C[6]C[6]2)(CNO)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	N(C[6]C[6]2)(CNO)(H)	118.3690	0.000	1	118.3690	0.000	1	120.2595	7.148	2	120.2595	7.148	2	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:3:	3:3:	3:3:3:	N[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](N[6]C[6]Ru)(C[6]C[6])(NC[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)	N(C[6]C[6]N[6])2(C[6]C[6]2)	C[6](N[6]C[6]Ru)(C[6]C[6])(NC[6]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N){1|Ru<9>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])2(C[6]C[6]2)	121.3910	0.000	2	121.3910	0.000	2	121.3910	0.000	2	121.3910	0.000	2	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:3:	3:3:	3:4:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(NCO)	C[6](C[6]C[6]N)(C[6]N[6]C)	N(C[6]C[6]2)(CC3)(O)	C[6](C[6]C[6]H)(C[6]C[6])(NCO){1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C){1|Ni<6>,1|C<2>,1|H<1>}	N(C[6]C[6]2)(CC3)(O)	122.8360	0.000	1	122.8360	0.000	1	122.8360	0.000	1	122.8360	0.000	1	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:3:	3:3:	3:4:2:	N[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:O-2:	C[6](N[6]C[6]Ni)(C[6]C[6])(NCO)	C[6](C[6]C[6]H)(C[6]N[6]N)	N(C[6]C[6]N[6])(CC3)(ONi)	C[6](N[6]C[6]Ni)(C[6]C[6])(NCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N){1|Ni<6>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(CC3)(ONi)	124.9040	0.000	1	124.9040	0.000	1	124.9040	0.000	1	124.9040	0.000	1	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:3:	3:3:	3:4:4:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-3:C-4:C-4:	C[6](C[6]C[6,6]H)(C[6]C[6])(NCC)	C[6](C[6]C[6,6]H)(C[6]C[6]N)	N(C[6]C[6]2)(CCHH)2	C[6](C[6]C[6,6]H)(C[6]C[6])(NCC){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]N){1|H<1>,2|C<3>}	N(C[6]C[6]2)(CCHH)2	121.2230	0.000	1	121.2230	0.000	1	121.2230	0.000	1	121.2230	0.000	1	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:2:3:	3:3:	4:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6])(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]Br)(C[6]C[6])(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|Br<1>,1|C<3>,1|C<4>}	N(C[6]C[6]2H)(C[6]C[6]2)(H)	123.4680	0.000	1	123.4680	0.000	1	123.4680	0.000	1	123.4680	0.000	1	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP2	C[6]	C[6]	N	3:3:2:	3:3:	3:3:4:	C[6]-3:N-3:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:Si-4:	C[6](C[6]C[6]H)(NC[6a]Si)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]N)	N(C[6a]C[6a]2)(C[6]C[6]2)(SiCCO)	C[6](C[6]C[6]H)(NC[6a]Si)(C[6]C[6]){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(SiCCO)	120.8630	0.000	1	120.8630	0.000	1	120.8630	0.000	1	120.8630	0.000	1	120.6703	3.453	46	120.6703	3.453	46
762	206	956	0:SP2_SP1_SP3	C[6]	C[6]	N	2:2:3:	3:2:	3:3:3:	C[6]-2:C[6]-2:N-3:	C[6]-3:C[6]-2:	C[6]-3:C-3:N-3:	C[6](C[6]C[6])2(NCN)	C[6](C[6]C[6]N)(C[6]C[6])	N(C[6]C[6]2)(CC[6]C)(NHH)	C[6](C[6]C[6])2(NCN){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	N(C[6]C[6]2)(CC[6]C)(NHH)	121.2080	1.674	2	121.2080	2.804	2	121.2080	2.804	2	121.2080	2.804	2	122.2763	4.826	3	122.2763	4.826	3
762	206	956	0:SP2_SP1_SP3	C[6]	C[6]	N	3:2:3:	3:3:	3:3:1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(NC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6]N)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	124.4130	0.000	1	124.4130	0.000	1	124.4130	0.000	1	124.4130	0.000	1	122.2763	4.826	3	122.2763	4.826	3
762	206	961	0:SP2_SP1_SP3	C[6,6]	C[6]	S[6]	3:4:2:	3:2:	3:3:1:1:	C[6,6]-3:S[6]-4:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:N[6]-3:O-1:O-1:	C[6,6](C[6,6]C[6]2)(S[6]N[6]OO)(C[6]C[6])	C[6](C[6,6]C[6,6]S[6])(C[6]C[6])	S[6](C[6,6]C[6,6]C[6])(N[6]C[6]2)(O)2	C[6,6](C[6,6]C[6]2)(S[6]N[6]OO)(C[6]C[6]){1|C<2>,2|C<3>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]){1|N<3>,2|C<2>,2|O<1>}	S[6](C[6,6]C[6,6]C[6])(N[6]C[6]2)(O)2{1|C<3>,5|C<2>}	120.2550	0.000	1	120.2550	0.000	1	120.2550	0.000	1	120.2550	0.000	1	120.2550	0.000	1	120.2550	0.000	1
762	206	975	6:SP2_SP1_SP3	C[6]	C[6]	Se[6]	3:2:2:	4:3:	3:3:	C[6]-3:Se[6]-2:C[6]-2:	C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(Se[6]C[6])(C[6]C[6])	C[6](C[6]C[6a]C[6]2)(C[6]Se[6]C[6])	Se[6](C[6]C[6a]C[6])(C[6]C[6]2)	C[6](C[6]C[6]2)(Se[6]C[6])(C[6]C[6]){1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]Se[6]C[6]){1|C<2>,1|H<1>,6|C<3>}	Se[6](C[6]C[6a]C[6])(C[6]C[6]2){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	123.8080	0.000	1	123.8080	0.000	1	123.8080	0.000	1	123.8080	0.000	1	123.8080	0.000	1	123.8080	0.000	1
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	2:2:2:	3:2:	3:1:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:N-1:	C[6](C[6]C[6])2(CN)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(N)	C[6](C[6]C[6])2(CN){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C(C[6]C[6]2)(N)	119.0152	0.947	4	119.1622	0.620	12	119.1622	0.620	12	119.1622	0.620	12	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	2:2:2:	3:2:	3:1:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:N-1:	C[6](C[6]C[6])2(CN)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(N)	C[6](C[6]C[6])2(CN){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C(C[6]C[6]2)(N)	119.2356	0.756	8	119.1622	0.620	12	119.1622	0.620	12	119.1622	0.620	12	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C-2:	C[6](C[6]C[6])2(CC)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(CC)	C[6](C[6]C[6])2(CC){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C(C[6]C[6]2)(CC)	119.7930	0.240	2	119.7930	0.058	2	120.2600	8.112	4	120.0935	2.758	19	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C-2:	C[6](C[6]C[6])2(CC)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(CC[6])	C[6](C[6]C[6])2(CC){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|O<2>}	C(C[6]C[6]2)(CC[6])	120.7270	4.838	2	120.7270	23.406	2	120.2600	8.112	4	120.0935	2.758	19	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:O-2:	C[6](C[6]C[6])2(CO)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(OC)	C[6](C[6]C[6])2(CO){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Cl<1>,1|C<2>}	C(C[6]C[6]2)(OC)	120.2900	1.994	2	120.2900	3.976	2	119.7102	1.249	10	120.0935	2.758	19	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:O-2:	C[6](C[6]C[6])2(CO)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(OC[6])	C[6](C[6]C[6])2(CO){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C(C[6]C[6]2)(OC[6])	119.5652	0.958	8	119.5652	0.918	8	119.7102	1.249	10	120.0935	2.758	19	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:S-2:	C[6](C[6]C[6])2(CS)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(SC)	C[6](C[6]C[6])2(CS){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C(C[6]C[6]2)(SC)	120.1325	1.066	4	120.1325	1.136	4	120.1325	1.136	4	120.0935	2.758	19	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	2:2:2:	3:2:	3:2:	C[6]-2:N[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:N-2:	C[6](C[6]C[6])(N[6]C[6])(CN)	C[6](C[6]N[6]C)(C[6]C[6])	C(C[6]C[6]N[6])(NN)	C[6](C[6]C[6])(N[6]C[6])(CN){1|C<3>,1|C<4>}	C[6](C[6]N[6]C)(C[6]C[6]){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NN)	123.1040	0.000	1	123.1040	0.000	1	123.1040	0.000	1	120.0935	2.758	19	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	2:2:2:	3:2:	3:3:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C-3:	C[6](C[6]C[6])2(CC)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(CCC)	C[6](C[6]C[6])2(CC){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Br<1>,1|C<2>}	C(C[6]C[6]2)(CCC)	121.8110	0.057	2	121.8110	0.003	2	121.1670	2.953	4	121.1670	2.953	4	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	2:2:2:	3:2:	3:3:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C-3:	C[6](C[6]C[6])2(CC)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(CNO)	C[6](C[6]C[6])2(CC){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C(C[6]C[6]2)(CNO)	120.5230	2.683	2	120.5230	7.197	2	121.1670	2.953	4	121.1670	2.953	4	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	2:2:2:	3:2:	3:4:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:N-4:	C[6](C[6]C[6])2(CN)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(NNiCC)	C[6](C[6]C[6])2(CN){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C(C[6]C[6]2)(NNiCC)	120.6883	0.757	4	120.6883	0.573	4	120.6883	0.573	4	120.6883	0.573	4	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	2:2:2:	3:3:	3:2:	C[6]-2:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:C-2:	C[6](C[6]C[6])2(CC)	C[6](C[6]C[6]C)(C[6]O[6]C)	C(C[6]C[6]2)(CC[6])	C[6](C[6]C[6])2(CC){1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]O[6]C){1|C<3>}	C(C[6]C[6]2)(CC[6])	121.2605	2.295	2	121.2605	5.265	2	121.2605	5.265	2	121.2605	5.265	2	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	2:2:2:	3:3:	3:4:	C[6]-2:N[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6])(N[6]C[6])(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)	C(C[6]C[6]N[6])(CHHS)	C[6](C[6]C[6])(N[6]C[6])(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CHHS)	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:2:	3:1:	C[6,6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:N-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(CN)	C[6](C[6]C[6,6]C)(C[6]C[6])	C(C[6]C[6,6]C[6])(N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(CN){3|C<2>}	C[6](C[6]C[6,6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C(C[6]C[6,6]C[6])(N)	127.9320	0.000	1	127.9320	0.000	1	127.9320	0.000	1	127.9320	0.000	1	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:2:	3:2:	C[5,6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C-2:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6])(CC)	C[6](C[6]C[5,6]C)(C[6]C[6])	C(C[6]C[5,6]C[6])(CC[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6])(CC){2|C<2>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]){1|C<2>,1|C<4>}	C(C[6]C[5,6]C[6])(CC[6])	125.4760	0.000	1	125.4760	0.000	1	125.4760	0.000	1	121.0177	14.940	3	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:2:	3:2:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:N-2:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(NC)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|O<1>}	C(C[6]C[6]2)(NC)	118.7885	0.255	2	118.7885	0.065	2	118.7885	0.065	2	121.0177	14.940	3	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:2:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(CC[6])	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)2	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]){2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|O<2>}	C(C[6]C[6]2)2	120.6075	1.474	4	120.6075	2.173	4	120.6075	2.173	4	118.5368	4.696	10	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:2:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:N-3:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(NC[6]Rh)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|O<2>}	C(C[6]C[6]2)(NC[6]Rh)	116.4970	0.000	1	116.4970	0.000	1	117.1563	1.431	6	118.5368	4.696	10	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:2:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:N-3:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(NCuC)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NCuC)	119.4220	0.000	1	119.4220	0.000	1	117.1563	1.431	6	118.5368	4.696	10	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:2:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:N-3:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(NPdC)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|O<2>}	C(C[6]C[6]2)(NPdC)	116.7548	0.561	4	116.7548	0.315	4	117.1563	1.431	6	118.5368	4.696	10	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:2:	3:4:	N[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:N-4:	C[6](N[6]C[6]Cu)(C[6]C[6])(CN)	C[6](C[6]N[6]C)(C[6]C[6])	C(C[6]C[6]N[6])(NCuCC)	C[6](N[6]C[6]Cu)(C[6]C[6])(CN){1|C<2>}	C[6](C[6]N[6]C)(C[6]C[6]){1|Cu<5>,1|C<2>}	C(C[6]C[6]N[6])(NCuCC)	125.6737	2.705	4	125.6737	7.316	4	125.1770	6.721	5	125.1770	6.721	5	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:2:	3:4:	N[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:	C[6]-3:N-4:	C[6](N[6]C[6]Ni)(C[6]C[6])(CN)	C[6](C[6]N[6]C)(C[6]C[6])	C(C[6]C[6]N[6])(NNiCC)	C[6](N[6]C[6]Ni)(C[6]C[6])(CN){1|C<2>}	C[6](C[6]N[6]C)(C[6]C[6]){1|Ni<4>,1|C<2>}	C(C[6]C[6]N[6])(NNiCC)	123.1900	0.000	1	123.1900	0.000	1	125.1770	6.721	5	125.1770	6.721	5	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:3:	3:1:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CH)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)	99.9362	0.000	1	99.9362	0.000	1	99.9362	0.000	1	99.9362	0.000	1	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:3:	3:2:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6])(CC)	C[6](C[6]C[6]C)(C[6]C[6]O)	C(C[6]C[6]2)(CC[6])	C[6](C[6]C[6]C)(C[6]C[6])(CC){1|C<2>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O){2|C<3>}	C(C[6]C[6]2)(CC[6])	117.8600	0.000	1	117.8600	0.000	1	119.5540	5.739	2	119.5540	5.739	2	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:3:	3:2:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]C[6])(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CC[5])	C[6](C[6]C[6]H)(C[6]C[6])(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[5])	121.2480	0.000	1	121.2480	0.000	1	119.5540	5.739	2	119.5540	5.739	2	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:3:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]C[6])(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6])(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)	122.2320	0.000	1	122.2320	0.000	1	122.2320	0.000	1	117.7892	8.175	12	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:3:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(CC[6])	C[6](C[6]C[6]C)(C[6]C[6]P)	C(C[6]C[6]2)2	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]){1|P<4>,2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]P){1|C<3>,1|O<2>}	C(C[6]C[6]2)2	120.5245	0.333	4	120.5245	0.111	4	120.5245	0.111	4	117.7892	8.175	12	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:3:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:N-3:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]Br)(C[6]C[6]C)	C(C[6]C[6]2)(NNiC)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|Br<1>,2|C<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|O<3>}	C(C[6]C[6]2)(NNiC)	115.8167	0.473	3	115.8167	0.224	3	115.5916	1.020	7	117.7892	8.175	12	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:3:	3:3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:N-3:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)2	C(C[6]C[6]2)(NC[6]Sn)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>,2|C<4>}	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C(C[6]C[6]2)(NC[6]Sn)	115.4227	1.342	4	115.4227	1.801	4	115.5916	1.020	7	117.7892	8.175	12	119.6997	12.470	79	119.6997	12.470	79
762	206	983	0:SP2_SP1_SP1	C[6]	C[6]	C	3:2:2:	3:3:	3:4:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:	C[6]-3:N-4:	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]Br)(C[6]C[6]C)	C(C[6]C[6]2)(NNiCC)	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|Br<1>,2|C<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|O<3>}	C(C[6]C[6]2)(NNiCC)	119.0787	0.778	3	119.0787	0.605	3	119.0787	0.605	3	119.0787	0.605	3	119.6997	12.470	79	119.6997	12.470	79
762	206	991	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	2:2:2:	3:2:	3:2:	C[6]-2:C[6]-2:Br-2:	C[6]-3:C[6]-2:	C[6]-3:C-2:	C[6](C[6]C[6])2(BrC)	C[6](C[6]C[6]Br)(C[6]C[6])	Br(C[6]C[6]2)(CC)	C[6](C[6]C[6])2(BrC){1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|C<4>}	Br(C[6]C[6]2)(CC)	118.2355	1.027	2	118.2355	1.056	2	118.2355	1.056	2	118.2355	1.056	2	117.7627	1.591	4	117.7627	1.591	4
762	206	991	0:SP2_SP-NON_SP1	C[6]	C[6]	Br	2:2:2:	3:2:	3:3:	C[6]-2:C[6]-2:Br-2:	C[6]-3:C[6]-2:	C[6]-3:C-3:	C[6](C[6]C[6])2(BrC)	C[6](C[6]C[6]Br)(C[6]C[6])	Br(C[6]C[6]2)(CSS)	C[6](C[6]C[6])2(BrC){1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|C<4>}	Br(C[6]C[6]2)(CSS)	117.2900	1.680	2	117.2900	2.823	2	117.2900	2.823	2	117.2900	2.823	2	117.7627	1.591	4	117.7627	1.591	4
762	206	992	0:SP2_SP1_SP3	C[6]	C[6]	P	2:2:4:	3:2:	3:3:3:3:	C[6]-2:C[6]-2:P-4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6])2(PC[6]3)	C[6](C[6]C[6]P)(C[6]C[6])	P(C[6]C[6]2)4	C[6](C[6]C[6])2(PC[6]3){1|C<2>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	P(C[6]C[6]2)4	120.0357	2.011	31	120.0357	4.042	31	120.0357	4.042	31	120.0357	4.042	31	120.0213	3.434	39	120.0213	3.434	39
762	206	992	0:SP2_SP1_SP3	C[6]	C[6]	P	3:2:4:	3:3:	3:3:3:2:	C[6]-3:C[6]-2:P-4:	C[6]-3:C[6]-3:	C[6]-3:N[5]-3:N-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6])(PN[5]NN)	C[6](C[6]C[6]H)(C[6]C[6]P)	P(C[6]C[6]2)(N[5]C[5]2)(NC[6]2)(NS[6])	C[6](C[6]C[6]H)(C[6]C[6])(PN[5]NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	P(C[6]C[6]2)(N[5]C[5]2)(NC[6]2)(NS[6])	120.7060	0.000	1	120.7060	0.000	1	120.7060	0.000	1	120.7060	0.000	1	120.0213	3.434	39	120.0213	3.434	39
762	206	992	0:SP2_SP1_SP3	C[6]	C[6]	P	3:2:4:	3:3:	3:3:3:3:	C[6]-3:C[6]-2:P-4:	C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(PC[6a]3)	C[6](C[6]C[6]H)(C[6]C[6]P)	P(C[6a]C[6a]2)3(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(PC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(C[6]C[6]2)	119.8590	0.000	1	119.8590	0.000	1	119.8590	0.000	1	119.8590	0.000	1	120.0213	3.434	39	120.0213	3.434	39
762	206	992	0:SP2_SP1_SP3	C[6]	C[6]	P	3:4:2:	3:3:	3:3:3:1:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(PC[6a]2O)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(PC[6a]2O)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2)(O)	117.5730	0.000	1	117.5730	0.000	1	117.5730	0.000	1	117.5730	0.000	1	120.0213	3.434	39	120.0213	3.434	39
762	206	992	0:SP2_SP1_SP3	C[6]	C[6]	P	3:4:2:	3:3:	3:3:3:2:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(PC[6a]2N)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	C[6](C[6]C[6]H)(PC[6a]2N)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	119.7535	0.268	2	119.7535	0.072	2	119.7535	0.072	2	119.7535	0.072	2	120.0213	3.434	39	120.0213	3.434	39
762	206	992	0:SP2_SP1_SP3	C[6]	C[6]	P	3:4:2:	3:3:	3:3:4:1:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C-4:I-1:	C[6](C[6]C[6]H)(PC[6a]CI)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	P(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(I)	C[6](C[6]C[6]H)(PC[6a]CI)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2)(CCHH)(I)	121.0870	0.000	1	121.0870	0.000	1	121.0870	0.000	1	121.0870	0.000	1	120.0213	3.434	39	120.0213	3.434	39
762	206	992	0:SP2_SP1_SP3	C[6]	C[6]	P	4:3:2:	3:3:	3:3:2:2:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:Se-2:N-2:	C[6](PC[6a]SeN)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	P(C[6a]C[6a]2)(C[6]C[6]2)(SeNi)(NP)	C[6](PC[6a]SeN)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2)(SeNi)(NP)	119.8160	0.000	1	119.8160	0.000	1	119.8160	0.000	1	119.8160	0.000	1	120.0213	3.434	39	120.0213	3.434	39
762	206	992	0:SP2_SP1_SP3	C[6]	C[6]	P	4:3:2:	3:3:	3:3:3:3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6](PC[6a]2C[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)	P(C[6a]C[6a]2)2(C[6]C[6]2)2	C[6](PC[6a]2C[6])(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(C[6]C[6]2)2	121.1770	0.000	1	121.1770	0.000	1	121.1770	0.000	1	121.1770	0.000	1	120.0213	3.434	39	120.0213	3.434	39
762	217	466	6:SP2_SP2_SP3	C[6]	N[6,6a]	C[6]	3:4:1:	3:2:3:	3:4:2:1:	N[6,6a]-3:C[6]-4:O-1:	B[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:C[6]-4:N-2:H-1:	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O)	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H)	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O){1|O<2>,2|C<3>,2|H<1>}	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H){1|B<3>,1|N<2>}	113.0130	0.000	1	113.0130	0.000	1	113.0130	0.000	1	113.0130	0.000	1	113.9590	12.368	3	113.9590	12.368	3
762	217	466	6:SP2_SP2_SP3	C[6]	N[6,6a]	C[6]	3:4:1:	3:2:3:	3:4:3:1:	N[6,6a]-3:C[6]-4:O-1:	B[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:C[6]-4:N-3:H-1:	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O)	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NCH)(H)	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O){1|O<2>,2|C<3>,2|H<1>}	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NCH)(H){1|B<3>,1|N<2>}	111.0120	0.000	1	111.0120	0.000	1	111.0120	0.000	1	111.0120	0.000	1	113.9590	12.368	3	113.9590	12.368	3
762	217	466	6:SP2_SP2_SP3	C[6]	N[6,6a]	C[6]	3:4:2:	3:3:3:	3:4:3:1:	N[6,6a]-3:C[6]-4:N-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:N-3:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NC[6a])	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N)	C[6](C[6]N[6,6a]N)(C[6]C[6]HH)(NCH)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NC[6a]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6a]N)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|H<1>}	117.8520	0.000	1	117.8520	0.000	1	117.8520	0.000	1	117.8520	0.000	1	113.9590	12.368	3	113.9590	12.368	3
762	217	490	0:SP2_SP2_SP3	C[6]	N[6,6a]	C	3:2:4:	4:2:3:	3:1:1:1:	N[6,6a]-3:O[6]-2:C-4:	B[6,6,6a]-4:N[6a]-2:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CH3)	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C)	C(C[6]N[6,6a]O[6])(H)3	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CH3){1|N<3>,2|O<2>,3|C<3>}	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C){1|B<4>,1|H<1>,3|C<3>}	C(C[6]N[6,6a]O[6])(H)3	122.9235	0.200	2	122.9235	0.040	2	122.9235	0.040	2	122.9235	0.040	2	121.7280	7.242	6	121.7280	7.242	6
762	217	490	0:SP2_SP2_SP3	C[6]	N[6,6a]	C	3:2:4:	4:2:3:	3:4:1:1:	N[6,6a]-3:O[6]-2:C-4:	B[6,6,6a]-4:N[6a]-2:C[6]-3:	C[6]-3:C-4:H-1:H-1:	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CCHH)	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C)	C(C[6]N[6,6a]O[6])(CH3)(H)2	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CCHH){1|N<3>,2|O<2>,3|C<3>}	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C){1|B<4>,1|H<1>,3|C<3>}	C(C[6]N[6,6a]O[6])(CH3)(H)2	123.1050	1.929	2	123.1050	3.721	2	123.1050	3.721	2	123.1050	3.721	2	121.7280	7.242	6	121.7280	7.242	6
762	217	490	0:SP2_SP2_SP3	C[6]	N[6,6a]	C	3:3:4:	3:3:3:	3:1:1:1:	N[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C)	C(C[6]N[6,6a]C[6])(H)3	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|C<4>}	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C(C[6]N[6,6a]C[6])(H)3	116.6490	0.000	1	116.6490	0.000	1	116.6490	0.000	1	116.6490	0.000	1	121.7280	7.242	6	121.7280	7.242	6
762	217	490	0:SP2_SP2_SP3	C[6]	N[6,6a]	C	3:3:4:	3:4:3:	3:1:1:1:	N[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(CH3)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C)	C(C[6]N[6,6a]C[6])(H)3	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C){2|H<1>,4|C<3>}	C(C[6]N[6,6a]C[6])(H)3	121.6620	0.000	1	121.6620	0.000	1	121.6620	0.000	1	121.6620	0.000	1	121.7280	7.242	6	121.7280	7.242	6
762	217	622	6:SP2_SP2_SP2	C[6]	N[6,6a]	O[6]	3:2:4:	4:2:3:	4:3:	N[6,6a]-3:O[6]-2:C-4:	B[6,6,6a]-4:N[6a]-2:C[6]-3:	B[6,6,6a]-4:C[6]-3:	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CCHH)	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C)	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C)	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CCHH){1|N<3>,2|O<2>,3|C<3>}	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C){1|B<4>,1|H<1>,3|C<3>}	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C){1|B<4>,2|N<2>,3|C<3>}	120.0795	0.101	2	120.0795	0.010	2	120.2587	0.095	4	120.2587	0.095	4	120.2587	0.095	4	120.2587	0.095	4
762	217	622	6:SP2_SP2_SP2	C[6]	N[6,6a]	O[6]	3:2:4:	4:2:3:	4:3:	N[6,6a]-3:O[6]-2:C-4:	B[6,6,6a]-4:N[6a]-2:C[6]-3:	B[6,6,6a]-4:C[6]-3:	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CH3)	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C)	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C)	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CH3){1|N<3>,2|O<2>,3|C<3>}	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C){1|B<4>,1|H<1>,3|C<3>}	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C){1|B<4>,2|N<2>,3|C<3>}	120.4380	0.383	2	120.4380	0.147	2	120.2587	0.095	4	120.2587	0.095	4	120.2587	0.095	4	120.2587	0.095	4
762	217	643	0:SP2_SP2_SP2	C[6]	N[6,6a]	C[6a]	3:3:2:	4:3:3:	3:3:3:	N[6,6a]-3:C[6a]-3:N[6]-2:	B[6,6a]-4:B[6,6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[6,6a]B[6,6a]2)(C[6a]C[6a]2)(N[6]N[6])	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6])	C[6a](C[6]N[6,6a]N[6])(C[6a]C[6a]H)2	C[6](N[6,6a]B[6,6a]2)(C[6a]C[6a]2)(N[6]N[6]){2|H<1>,3|C<3>,5|N<3>}	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6]){1|B<3>,1|N<3>,2|N<2>,7|C<3>}	C[6a](C[6]N[6,6a]N[6])(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,1|N<3>,2|H<1>}	122.7440	0.000	1	122.7440	0.000	1	122.7440	0.000	1	122.7440	0.000	1	117.3461	8.830	11	117.3461	8.830	11
762	217	643	0:SP2_SP2_SP2	C[6]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	120.0450	0.000	1	120.0450	0.000	1	116.5488	12.666	5	116.8063	6.250	10	117.3461	8.830	11	117.3461	8.830	11
762	217	643	0:SP2_SP2_SP2	C[6]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.3913	0.111	3	117.3913	0.012	3	116.5488	12.666	5	116.8063	6.250	10	117.3461	8.830	11	117.3461	8.830	11
762	217	643	0:SP2_SP2_SP2	C[6]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	110.5250	0.000	1	110.5250	0.000	1	116.5488	12.666	5	116.8063	6.250	10	117.3461	8.830	11	117.3461	8.830	11
762	217	643	0:SP2_SP2_SP2	C[6]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|C<4>,7|C<3>}	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	115.4970	0.000	1	115.4970	0.000	1	116.9350	1.532	4	116.8063	6.250	10	117.3461	8.830	11	117.3461	8.830	11
762	217	643	0:SP2_SP2_SP2	C[6]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6])	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6]){1|S<2>,7|C<3>}	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	116.3550	0.000	1	116.3550	0.000	1	116.9350	1.532	4	116.8063	6.250	10	117.3461	8.830	11	117.3461	8.830	11
762	217	643	0:SP2_SP2_SP2	C[6]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6])	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6]){8|C<3>}	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	117.6660	0.000	1	117.6660	0.000	1	116.9350	1.532	4	116.8063	6.250	10	117.3461	8.830	11	117.3461	8.830	11
762	217	643	0:SP2_SP2_SP2	C[6]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,7|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	118.2220	0.000	1	118.2220	0.000	1	116.9350	1.532	4	116.8063	6.250	10	117.3461	8.830	11	117.3461	8.830	11
762	217	643	0:SP2_SP2_SP2	C[6]	N[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]N[6,6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	117.5790	0.000	1	117.5790	0.000	1	117.5790	0.000	1	116.8063	6.250	10	117.3461	8.830	11	117.3461	8.830	11
762	217	643	6:SP2_SP2_SP2	C[6,6]	N[6,6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6](N[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	N[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6a]C[6])	C[6,6a](C[6,6]N[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6](N[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,7|C<3>}	N[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6a]C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6,6]N[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	119.9350	0.000	1	119.9350	0.000	1	119.9350	0.000	1	119.9350	0.000	1	119.9350	0.000	1	120.5479	2.044	8
762	217	643	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H){2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.9550	1.195	2	121.9550	1.428	2	121.9550	1.428	2	121.9550	1.428	2	120.6354	2.314	7	120.5479	2.044	8
762	217	643	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6,6a]	3:3:1:	4:3:3:	3:3:3:	N[6,6a]-3:C[6,6a]-3:H-1:	B[6,6a]-4:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]H)	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|O<2>,5|C<3>}	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	120.4760	0.000	1	120.4760	0.000	1	121.0177	0.252	3	121.0177	0.252	3	120.6354	2.314	7	120.5479	2.044	8
762	217	643	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6,6a]	3:3:1:	4:3:3:	3:3:3:	N[6,6a]-3:C[6,6a]-3:H-1:	B[6,6a]-4:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]O)	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H){3|O<2>,5|C<3>}	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6a]H)(C[6a]C[6a]O){1|B<4>,2|C<3>,2|H<1>}	121.2885	0.252	2	121.2885	0.064	2	121.0177	0.252	3	121.0177	0.252	3	120.6354	2.314	7	120.5479	2.044	8
762	217	643	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:N[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH){2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	119.3990	0.000	1	119.3990	0.000	1	119.3990	0.000	1	118.7425	0.862	2	120.6354	2.314	7	120.5479	2.044	8
762	217	643	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6,6a]-3:N-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6a]N)(C[6a]C[6a]H)	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH){1|H<1>,1|N<2>,5|C<3>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]N){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	118.0860	0.000	1	118.0860	0.000	1	118.0860	0.000	1	118.7425	0.862	2	120.6354	2.314	7	120.5479	2.044	8
762	217	762	0:SP2_SP2_SP2	C[6]	N[6a]	C[6]	3:3:3:	3:3:3:	3:2:1:	N[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H)	N[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6](C[6]N[6a]C[6])(C[6]C[6])(H)	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|Cl<1>,1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]N[6a]C[6])(C[6]C[6])(H){1|Cl<1>,1|H<1>,3|C<3>}	119.5660	0.000	1	119.5660	0.000	1	119.5660	0.000	1	119.5660	0.000	1	120.3163	3.696	42	120.3163	3.696	42
762	217	762	0:SP2_SP2_SP2	C[6]	N[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:N[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cd)(N[6a]C[6a]2)(C[6]C[6]H)	N[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]N[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Cd)(N[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cd<6>,3|C<3>,3|H<1>}	C[6](C[6]N[6a]N[6])(C[6]C[6,6a]H)(H){1|Cd<6>,4|C<3>}	118.5680	0.000	1	118.5680	0.000	1	118.5680	0.000	1	120.3346	3.774	41	120.3163	3.696	42	120.3163	3.696	42
762	217	762	0:SP2_SP2_SP2	C[6]	N[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H)	N[6a](C[6a]C[6a]C)2(C[6]C[6]2)	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(Cl)	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C)2(C[6]C[6]2){1|Cl<1>,1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(Cl){1|C<2>,2|C<3>,2|H<1>}	120.1260	0.000	1	120.1260	0.000	1	120.1260	0.000	1	120.3346	3.774	41	120.3163	3.696	42	120.3163	3.696	42
762	217	762	0:SP2_SP2_SP2	C[6]	N[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2)	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|B<4>,1|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.3319	0.567	12	121.3319	0.321	12	120.5252	1.240	22	120.3346	3.774	41	120.3163	3.696	42	120.3163	3.696	42
762	217	762	0:SP2_SP2_SP2	C[6]	N[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6a]C[6a]2)(C[6]C[6]H)2	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2)	C[6](C[6]N[6a]C[6])(C[6]N[6]H)(H)	C[6](N[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[6]N[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	119.5572	0.769	10	119.5572	0.592	10	120.5252	1.240	22	120.3346	3.774	41	120.3163	3.696	42	120.3163	3.696	42
762	217	762	0:SP2_SP2_SP2	C[6]	N[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](N[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2)	C[6](C[6]N[6a]C[6])(N[6]C[6]B)(H)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|B<4>,1|H<1>,2|O<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]N[6a]C[6])(N[6]C[6]B)(H){2|H<1>,3|C<3>}	118.5648	0.405	12	118.5648	0.164	12	118.5648	0.164	12	120.3346	3.774	41	120.3163	3.696	42	120.3163	3.696	42
762	217	762	0:SP2_SP2_SP2	C[6]	N[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	122.6910	0.123	2	122.6910	0.015	2	123.1287	0.582	3	120.3346	3.774	41	120.3163	3.696	42	120.3163	3.696	42
762	217	762	0:SP2_SP2_SP2	C[6]	N[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C)	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	124.0040	0.000	1	124.0040	0.000	1	123.1287	0.582	3	120.3346	3.774	41	120.3163	3.696	42	120.3163	3.696	42
762	217	762	0:SP2_SP2_SP2	C[6]	N[6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:N[6]-3:C[6]-3:	C[6a,6a]-3:B[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6a]C[6a,6a]B[6a])(N[6]C[6]Ir)(C[6]C[6]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Ir)(C[6]C[6]N[6])	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H)	C[6](N[6a]C[6a,6a]B[6a])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Ir)(C[6]C[6]N[6]){2|H<1>,5|C<3>}	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|B<3>,1|H<1>,2|C<3>}	125.6535	0.634	2	125.6535	0.402	2	125.6535	0.402	2	120.3346	3.774	41	120.3163	3.696	42	120.3163	3.696	42
762	217	762	6:SP2_SP2_SP2	C[6,6]	N[6,6,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	N[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6a]C[6])	C[6](C[6,6]N[6,6,6a]C[6,6a])(C[6]C[6a]C[6])(H)	C[6,6](N[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,7|C<3>}	N[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6a]C[6]){2|H<1>,7|C<3>}	C[6](C[6,6]N[6,6,6a]C[6,6a])(C[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	119.3520	0.000	1	119.3520	0.000	1	119.3520	0.000	1	119.3520	0.000	1	119.3520	0.000	1	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6a]H)(H)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6,6a]H)(H){3|C<3>}	121.2600	0.000	1	121.2600	0.000	1	121.2600	0.000	1	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	N[6,6a](C[6,6a]N[6a]C[6])(C[6,6a]C[6,6a]2)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6,6a]C[6,6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7800	0.000	1	120.7800	0.000	1	120.7800	0.000	1	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H)	N[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H){1|H<1>,4|C<3>}	120.9160	0.000	1	120.9160	0.000	1	120.9160	0.000	1	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.3080	0.000	1	121.3080	0.000	1	121.1722	0.121	13	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,7|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	121.1335	0.238	2	121.1335	0.057	2	121.1722	0.121	13	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.1990	0.000	1	121.1990	0.000	1	121.1722	0.121	13	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.1250	0.000	1	121.1250	0.000	1	121.1722	0.121	13	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.1180	0.000	1	121.1180	0.000	1	121.1722	0.121	13	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.2445	0.095	2	121.3140	0.019	3	121.1722	0.121	13	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.4530	0.000	1	121.3140	0.019	3	121.1722	0.121	13	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.0130	0.000	1	121.0130	0.000	1	121.1722	0.121	13	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.6570	0.000	1	121.6570	0.000	1	121.1722	0.121	13	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	121.4140	0.000	1	120.8045	0.743	2	121.1722	0.121	13	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1950	0.000	1	120.8045	0.743	2	121.1722	0.121	13	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:Ge[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]Ge[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6a]N[6a]Mo)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]Ge[6a])(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,1|N<3>,2|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6a]N[6a]Mo)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	122.1460	0.000	1	122.1460	0.000	1	122.1460	0.000	1	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.4590	0.000	1	120.4590	0.000	1	120.4590	0.000	1	121.1555	0.184	18	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(CC[6a]O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(CC[6a]O){3|C<3>}	120.9100	0.000	1	120.9100	0.000	1	120.9100	0.000	1	121.0375	0.033	2	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	121.0375	0.033	2	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:4:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H)	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]H)(CH3)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H){1|N<2>,1|O<1>,3|C<3>}	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]H)(CH3){1|N<3>,4|C<3>}	122.6580	0.000	1	122.6580	0.000	1	122.6580	0.000	1	122.6580	0.000	1	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:4:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]C)(H)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H){3|C<3>,3|C<4>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	123.0000	0.341	2	123.0000	0.116	2	122.6977	0.234	4	122.6977	0.234	4	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:4:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>}	122.7280	0.000	1	122.7280	0.000	1	122.6977	0.234	4	122.6977	0.234	4	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:1:	3:4:3:	3:3:1:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H){1|H<1>,2|F<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	122.0630	0.000	1	122.0630	0.000	1	122.6977	0.234	4	122.6977	0.234	4	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:N-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a])	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6](C[6]N[6,6a]N)(C[6]N[6]H)(CCO)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|H<1>,3|C<3>}	C[6](C[6]N[6,6a]N)(C[6]N[6]H)(CCO){2|C<3>}	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	113.9790	6.815	2	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6]N[6,6a]O)(C[6]C[6]H)(COO)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6]N[6,6a]O)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	115.8250	0.000	1	115.8250	0.000	1	115.8250	0.000	1	113.9790	6.815	2	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-2:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(CC)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]O){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(CC){1|H<1>,6|C<3>}	120.0120	0.000	1	120.0120	0.000	1	120.0120	0.000	1	120.0120	0.000	1	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	119.4380	0.410	3	119.4380	0.168	3	116.9085	25.706	4	118.3401	16.046	7	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,6|C<3>}	109.3200	0.000	1	109.3200	0.000	1	116.9085	25.706	4	118.3401	16.046	7	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[6a]C[6a]2)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,8|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6a]C[6]){1|S<2>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.3800	0.000	1	120.3800	0.000	1	120.3000	0.013	2	118.3401	16.046	7	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[6a]C[6a]2)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6]){8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.2200	0.000	1	120.2200	0.000	1	120.3000	0.013	2	118.3401	16.046	7	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6](C[6]N[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,7|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6](C[6]N[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.1470	0.000	1	120.1470	0.000	1	120.1470	0.000	1	118.3401	16.046	7	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[3]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3])(C[6a]C[6a]2)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[3]C[3]2H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6a]C[6]){1|C<4>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[3]C[3]2H){5|H<1>,6|C<3>}	119.4940	0.000	1	119.4940	0.000	1	119.4940	0.000	1	119.8770	0.293	2	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6]N[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	120.2600	0.000	1	120.2600	0.000	1	120.2600	0.000	1	119.8770	0.293	2	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:4:	3:3:3:	3:4:1:	N[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6](C[6]N[6,6a]C)(C[6]S[6]CC)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|C<4>}	N[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6,6a]C)(C[6]S[6]CC)(H){2|C<3>}	120.3320	0.000	1	120.3320	0.000	1	120.3320	0.000	1	120.3320	0.000	1	120.3509	6.779	39	120.3260	6.630	40
762	217	762	6:SP2_SP2_SP2	C[6]	N[6,6a]	C[6]	3:3:4:	3:4:3:	3:3:1:	N[6,6a]-3:C[6]-3:C-4:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(CH3)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C)	C[6](C[6]N[6,6a]C)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]C){2|H<1>,4|C<3>}	C[6](C[6]N[6,6a]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	120.9260	0.000	1	120.9260	0.000	1	120.9260	0.000	1	120.9260	0.000	1	120.3509	6.779	39	120.3260	6.630	40
762	217	856	0:SP2_SP2_SP2	C[6]	N[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:O-1:	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2)	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	116.3760	0.648	2	116.3760	0.420	2	115.9007	0.888	3	115.9007	0.888	3	115.9007	0.888	3	115.9007	0.888	3
762	217	856	0:SP2_SP2_SP2	C[6]	N[6a]	N[6]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:O-1:	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C)	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6]C[6]N[6])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	114.9500	0.000	1	114.9500	0.000	1	115.9007	0.888	3	115.9007	0.888	3	115.9007	0.888	3	115.9007	0.888	3
762	217	856	6:SP2_SP2_SP2	C[6,6]	N[6,6,6a]	N[6]	3:3:2:	3:3:3:	3:3:1:	N[6,6,6a]-3:N[6]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]H)(N[6]C[6])	N[6,6,6a](C[6,6a]N[6a]N[6])2(C[6,6]N[6]2)	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)(H)	C[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]H)(N[6]C[6]){6|N<2>}	N[6,6,6a](C[6,6a]N[6a]N[6])2(C[6,6]N[6]2){1|H<1>,3|C<3>}	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)(H){3|C<3>}	116.2390	0.000	1	116.2390	0.000	1	116.2390	0.000	1	116.2390	0.000	1	116.2390	0.000	1	118.2824	15.111	5
762	217	856	6:SP2_SP2_SP2	C[6]	N[6,6a]	N[6]	3:3:1:	3:3:3:	3:3:1:	N[6,6a]-3:N[6]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]H)(O)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(H)	C[6](N[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]H)(O){1|N<2>,4|C<3>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(H){1|H<1>,4|C<3>}	117.4755	1.402	2	117.4755	1.966	2	117.4755	1.966	2	117.4755	1.966	2	118.7933	18.408	4	118.2824	15.111	5
762	217	856	6:SP2_SP2_SP2	C[6]	N[6,6a]	N[6]	3:3:1:	3:3:3:	3:3:4:	N[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(CH3)	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(CH3){1|H<1>,4|C<3>}	115.2990	0.000	1	115.2990	0.000	1	115.2990	0.000	1	115.2990	0.000	1	118.7933	18.408	4	118.2824	15.111	5
762	217	856	6:SP2_SP2_SP2	C[6]	N[6,6a]	N[6]	3:3:1:	3:4:3:	3:3:1:	N[6,6a]-3:N[6]-3:H-1:	C[6a,6a]-3:B[6,6a]-4:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6,6a]C[6a,6a]B[6,6a])(N[6]C[6,6a]H)(H)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H)	C[6](N[6,6a]C[6a,6a]B[6,6a])(N[6]C[6,6a]H)(H){2|O<2>,4|C<3>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	124.9230	0.000	1	124.9230	0.000	1	124.9230	0.000	1	124.9230	0.000	1	118.7933	18.408	4	118.2824	15.111	5
762	217	863	0:SP2_SP2_SP2	C[6]	N[6,6a]	O	3:3:1:	3:3:3:	3:	N[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	O(C[6]N[6,6a]N[6])	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6]N[6,6a]N[6])	119.7630	0.000	1	119.7630	0.000	1	119.7630	0.000	1	120.1923	6.499	3	121.6138	7.040	5	121.6138	7.040	5
762	217	863	0:SP2_SP2_SP2	C[6]	N[6,6a]	O	3:3:1:	3:3:3:	3:	N[6,6a]-3:N[6]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]H)(O)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)	O(C[6]N[6,6a]N[6])	C[6](N[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]H)(O){1|N<2>,4|C<3>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]N[6]O){2|H<1>,5|C<3>}	O(C[6]N[6,6a]N[6])	120.4070	3.567	2	120.4070	12.721	2	120.4070	12.721	2	120.1923	6.499	3	121.6138	7.040	5	121.6138	7.040	5
762	217	863	0:SP2_SP2_SP2	C[6]	N[6,6a]	O	3:4:1:	3:2:3:	3:	N[6,6a]-3:C[6]-4:O-1:	B[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O)	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	O(C[6]N[6,6a]C[6])	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O){1|O<2>,2|C<3>,2|H<1>}	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(C[6]N[6,6a]C[6])	123.6800	0.000	1	123.7460	0.009	2	123.7460	0.009	2	123.7460	0.009	2	121.6138	7.040	5	121.6138	7.040	5
762	217	863	0:SP2_SP2_SP2	C[6]	N[6,6a]	O	3:4:1:	3:2:3:	3:	N[6,6a]-3:C[6]-4:O-1:	B[6,6a]-3:N[6a]-2:C[6]-3:	C[6]-3:	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O)	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	O(C[6]N[6,6a]C[6])	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O){1|O<2>,2|C<3>,2|H<1>}	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]N[6,6a]C[6])	123.8120	0.000	1	123.7460	0.009	2	123.7460	0.009	2	123.7460	0.009	2	121.6138	7.040	5	121.6138	7.040	5
762	217	914	0:SP2_SP2_SP2	C[6]	N[6a]	N[6]	3:2:2:	3:3:3:	3:3:	N[6a]-3:N[6]-2:N[6]-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6])	N[6a](C[6a]C[6a]H)2(C[6]N[6]2)	N[6](C[6]N[6a]N[6])2	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6]){1|N<3>,2|C<3>,2|H<1>,3|N<2>}	N[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|P<4>,2|C<3>,2|H<1>}	N[6](C[6]N[6a]N[6])2{1|P<4>,4|C<3>}	112.8095	0.837	2	113.4825	0.838	4	113.4825	0.838	4	113.4825	0.838	4	114.5796	1.795	8	114.5796	1.795	8
762	217	914	0:SP2_SP2_SP2	C[6]	N[6a]	N[6]	3:2:2:	3:3:3:	3:3:	N[6a]-3:N[6]-2:N[6]-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6])	N[6a](C[6a]C[6a]H)2(C[6]N[6]2)	N[6](C[6]N[6a]N[6])2	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6]){1|Pd<5>,1|N<2>,2|C<3>,2|H<1>,3|N<3>}	N[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|P<5>,2|C<3>,2|H<1>}	N[6](C[6]N[6a]N[6])2{1|P<5>,4|C<3>}	114.1555	0.047	2	113.4825	0.838	4	113.4825	0.838	4	113.4825	0.838	4	114.5796	1.795	8	114.5796	1.795	8
762	217	914	0:SP2_SP2_SP2	C[6]	N[6a]	N[6]	3:2:2:	3:3:3:	3:4:	N[6a]-3:N[6]-2:N[6]-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6]-3:P[6]-4:	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6])	N[6a](C[6a]C[6a]H)2(C[6]N[6]2)	N[6](C[6]N[6a]N[6])(P[6]N[6]NN)	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6]){1|N<3>,2|C<3>,2|H<1>,3|N<2>}	N[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|P<4>,2|C<3>,2|H<1>}	N[6](C[6]N[6a]N[6])(P[6]N[6]NN){3|C<3>}	115.9400	0.197	2	115.9400	0.039	2	115.9400	0.039	2	115.9400	0.039	2	114.5796	1.795	8	114.5796	1.795	8
762	217	914	0:SP2_SP2_SP2	C[6]	N[6a]	N[6]	3:2:2:	3:3:3:	3:5:	N[6a]-3:N[6]-2:N[6]-2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6]-3:P[6]-5:	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6])	N[6a](C[6a]C[6a]H)2(C[6]N[6]2)	N[6](C[6]N[6a]N[6])(P[6]N[6]PdNN)	C[6](N[6a]C[6a]2)(N[6]C[6])(N[6]P[6]){1|Pd<5>,1|N<2>,2|C<3>,2|H<1>,3|N<3>}	N[6a](C[6a]C[6a]H)2(C[6]N[6]2){1|P<5>,2|C<3>,2|H<1>}	N[6](C[6]N[6a]N[6])(P[6]N[6]PdNN){3|C<3>}	115.4135	0.320	2	115.4135	0.103	2	115.4135	0.103	2	115.4135	0.103	2	114.5796	1.795	8	114.5796	1.795	8
762	217	914	6:SP2_SP2_SP2	C[6,6]	N[6,6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	N[6,6,6a]-3:N[6]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:	C[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]H)(N[6]C[6])	N[6,6,6a](C[6,6a]N[6a]N[6])2(C[6,6]N[6]2)	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)	C[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]H)(N[6]C[6]){6|N<2>}	N[6,6,6a](C[6,6a]N[6a]N[6])2(C[6,6]N[6]2){1|H<1>,3|C<3>}	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N){1|H<1>,3|C<3>}	122.8950	0.000	1	122.8950	0.000	1	122.8950	0.000	1	122.8950	0.000	1	122.8950	0.000	1	122.8645	0.002	2
762	217	914	6:SP2_SP2_SP2	C[6]	N[6,6a]	N[6]	3:3:2:	4:3:3:	3:3:	N[6,6a]-3:C[6a]-3:N[6]-2:	B[6,6a]-4:B[6,6a]-3:C[6]-3:	C[6]-3:N[6]-3:	C[6](N[6,6a]B[6,6a]2)(C[6a]C[6a]2)(N[6]N[6])	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6])	N[6](C[6]N[6,6a]C[6a])(N[6]C[6a]N[6])	C[6](N[6,6a]B[6,6a]2)(C[6a]C[6a]2)(N[6]N[6]){2|H<1>,3|C<3>,5|N<3>}	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6]){1|B<3>,1|N<3>,2|N<2>,7|C<3>}	N[6](C[6]N[6,6a]C[6a])(N[6]C[6a]N[6]){1|B<3>,1|B<4>,5|C<3>}	122.8340	0.000	1	122.8340	0.000	1	122.8340	0.000	1	122.8340	0.000	1	122.8340	0.000	1	122.8645	0.002	2
762	217	941	0:SP2_SP2_SP2	C[6]	N[6,6a]	N	3:3:2:	3:3:3:	3:3:	N[6,6a]-3:C[6]-3:N-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a])	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N)	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]N){2|H<1>,3|C<3>}	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	113.9240	0.000	1	113.9240	0.000	1	113.9240	0.000	1	113.9240	0.000	1	115.9300	8.048	2	115.9300	8.048	2
762	217	941	0:SP2_SP2_SP2	C[6]	N[6,6a]	N	3:4:2:	3:3:3:	3:3:	N[6,6a]-3:C[6]-4:N-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NC[6a])	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N)	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NC[6a]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N(C[6]N[6,6a]C[6])(C[6a]C[6a]2)	117.9360	0.000	1	117.9360	0.000	1	117.9360	0.000	1	117.9360	0.000	1	115.9300	8.048	2	115.9300	8.048	2
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6,6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(H){2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6,6a])	118.8425	0.325	2	118.8425	0.105	2	118.8425	0.105	2	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]C)(C[6]C[6]H){1|H<1>,5|C<3>}	H(C[6]N[6,6a]C[6])	114.7320	0.000	1	114.7320	0.000	1	114.7320	0.000	1	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	N[6,6a](C[6,6a]N[6a]C[6])(C[6,6a]C[6,6a]2)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6,6a]C[6,6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[6,6a]C[6])	119.5810	0.000	1	119.5810	0.000	1	119.5810	0.000	1	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H)	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H){1|N<2>,1|O<1>,3|C<3>}	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>}	H(C[6]N[6,6a]C[6])	118.6670	0.000	1	118.6670	0.000	1	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H)	N[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6]N[6,6a]C[6])	111.1630	0.000	1	111.1630	0.000	1	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6]N[6,6a]C[6])	119.5420	0.000	1	119.5420	0.000	1	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){3|C<3>,3|H<1>}	H(C[6]N[6,6a]C[6])	119.3890	0.000	1	119.3890	0.000	1	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,7|C<3>}	H(C[6]N[6,6a]C[6])	119.4340	0.117	2	119.4340	0.014	2	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]N[6,6a]C[6])	119.3900	0.000	1	119.3900	0.000	1	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[6,6a]C[6])	119.3110	0.000	1	119.3110	0.000	1	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]H){3|C<3>,3|H<1>}	H(C[6]N[6,6a]C[6])	119.4570	0.000	1	119.4570	0.000	1	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]N[6,6a]C[6])	119.3805	0.108	2	119.3520	0.008	3	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,5|C<3>}	H(C[6]N[6,6a]C[6])	119.2950	0.000	1	119.3520	0.008	3	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,4|H<1>}	H(C[6]N[6,6a]C[6])	119.4690	0.000	1	119.4690	0.000	1	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	H(C[6]N[6,6a]C[6])	119.1640	0.000	1	119.1640	0.000	1	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6a]C[6])	119.3300	0.000	1	119.6250	0.174	2	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]N[6,6a]C[6])	119.9200	0.000	1	119.6250	0.174	2	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]Ru)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]Ru)(H){1|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Ru<6>,2|C<3>,3|H<1>}	H(C[6]N[6,6a]C[6])	118.4040	0.000	1	118.4040	0.000	1	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]N[6,6a]C[6])	119.4110	0.000	1	119.4110	0.000	1	118.8634	3.800	18	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:Ge[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]Ge[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6a]N[6a]Mo)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]Ge[6a])(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,1|N<3>,2|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6a]N[6a]Mo)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	H(C[6]N[6,6a]C[6])	118.9070	0.000	1	118.9070	0.000	1	118.9070	0.000	1	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:3:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6]N[6,6a]C[6])	118.1130	0.000	1	118.1130	0.000	1	118.1130	0.000	1	118.6900	3.571	24	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:4:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]N[6,6a]C[6])	118.6400	0.000	1	118.5407	0.019	3	118.6432	0.055	4	118.4202	0.290	5	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:4:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H){3|C<3>,3|C<4>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6]N[6,6a]C[6])	118.4910	0.150	2	118.5407	0.019	3	118.6432	0.055	4	118.4202	0.290	5	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:4:3:	3:	N[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:B[6a]-4:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H)	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H)	H(C[6]N[6,6a]C[6])	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H){1|H<1>,2|F<1>,3|C<3>}	N[6,6a](C[6,6a]C[6a,6a]C[6])(B[6a]C[6a,6a]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6]N[6,6a]C[6])	118.9510	0.000	1	118.9510	0.000	1	118.6432	0.055	4	118.4202	0.290	5	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	3:4:3:	3:	N[6,6a]-3:N[6]-3:H-1:	C[6a,6a]-3:B[6,6a]-4:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6a,6a]B[6,6a])(N[6]C[6,6a]H)(H)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H)	H(C[6]N[6,6a]N[6])	C[6](N[6,6a]C[6a,6a]B[6,6a])(N[6]C[6,6a]H)(H){2|O<2>,4|C<3>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]O[6a]O)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<3>}	H(C[6]N[6,6a]N[6])	117.5280	0.000	1	117.5280	0.000	1	117.5280	0.000	1	118.4202	0.290	5	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	4:3:3:	3:	N[6,6a]-3:C[6,6a]-3:H-1:	B[6,6a]-4:C[6a,6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)	H(C[6]C[6,6a]N[6,6a])	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|O<2>,5|C<3>}	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,7|C<3>}	H(C[6]C[6,6a]N[6,6a])	119.8470	0.000	1	119.5173	0.097	3	119.5173	0.097	3	119.5173	0.097	3	118.7254	2.770	32	118.7254	2.770	32
762	217	951	0:SP2_SP-NON_SP2	C[6]	N[6,6a]	H	3:3:1:	4:3:3:	3:	N[6,6a]-3:C[6,6a]-3:H-1:	B[6,6a]-4:C[6a,6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)	H(C[6]C[6,6a]N[6,6a])	C[6](N[6,6a]C[6a,6a]B[6,6a])(C[6,6a]C[6,6a]C[6a])(H){3|O<2>,5|C<3>}	N[6,6a](B[6,6a]C[6a]O[6a]O[6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,7|C<3>}	H(C[6]C[6,6a]N[6,6a])	119.3525	0.176	2	119.5173	0.097	3	119.5173	0.097	3	119.5173	0.097	3	118.7254	2.770	32	118.7254	2.770	32
762	217	956	0:SP2_SP2_SP2	C[6]	N[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:N[6,6a]-3:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH)	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	N(C[6]C[6,6a]N[6,6a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(NHH){2|H<1>,5|C<3>}	N[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N(C[6]C[6,6a]N[6,6a])(H)2	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	120.8050	0.541	2	120.8050	0.541	2	120.8050	0.541	2
762	217	956	0:SP2_SP2_SP2	C[6]	N[6,6a]	N	3:3:3:	3:3:3:	3:1:1:	N[6,6a]-3:C[6,6a]-3:N-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH)	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]N)	N(C[6]C[6,6a]N[6,6a])(H)2	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(NHH){1|H<1>,1|N<2>,5|C<3>}	N[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]N){1|H<1>,6|C<3>}	N(C[6]C[6,6a]N[6,6a])(H)2	121.3250	0.000	1	121.3250	0.000	1	121.3250	0.000	1	120.8050	0.541	2	120.8050	0.541	2	120.8050	0.541	2
762	238	762	0:SP2_SP2_SPD7	C[6]	C[6x3]	C[6]	7:3:3:	7:7:6:6:6:6:3:	3:3:1:	C[6x3]-7:C[6]-3:C[6]-3:	C[4x3,4,6]-7:C[4x3,4,6]-7:C[3x3,4,6]-6:C[3x3,4,6]-6:C[3,3,4,4,6]-6:C[3,3,4,4,6]-6:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]2)(C[6]C[6]H)2	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2)	C[6](C[6]C[6x3]C[6])(C[6]C[6]C)(H)	C[6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]2)(C[6]C[6]H)2{10|H<2>,1|C<3>,2|C<4>,2|H<3>,6|H<1>}	C[6x3](C[4x3,4,6]C[3x3,4,6]C[4x3,4,6]H[3,3]H[3]H[4]H)2(C[3x3,4,6]C[3,3,4,4,6]C[4x3,4,6]H[3,3]H[4]H)2(C[3,3,4,4,6]C[3,3,4,4,6]C[3x3,4,6]H[4]2H)2(C[6]C[6]2){2|C<3>,2|H<1>}	C[6](C[6]C[6x3]C[6])(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<7>,4|C<6>}	121.5170	0.532	2	121.5170	0.283	2	121.5170	0.283	2	121.5170	0.283	2	121.5170	0.283	2	121.5170	0.283	2
762	246	762	6:SP2_SP2_SP3	C[6]	P[5,6,6]	C[6]	3:3:4:	4:3:3:	3:3:1:	P[5,6,6]-3:C[6]-3:Si-4:	C[5,3x6]-4:P[3,5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](P[5,6,6]C[5,3x6]P[3,5,6])(C[6]C[6]H)(SiC3)	P[5,6,6](C[5,3x6]C[6,6,6a]C[5,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(C[6]C[6]Si)	C[6](C[6]P[5,6,6]Si)(C[6]C[6]H)(H)	C[6](P[5,6,6]C[5,3x6]P[3,5,6])(C[6]C[6]H)(SiC3){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	P[5,6,6](C[5,3x6]C[6,6,6a]C[5,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(C[6]C[6]Si){2|Si<4>,3|C<3>,3|H<1>}	C[6](C[6]P[5,6,6]Si)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|P<3>}	114.7570	0.000	1	114.7570	0.000	1	114.7570	0.000	1	114.7570	0.000	1	114.7570	0.000	1	114.7570	0.000	1
762	246	880	0:SP2_SP3_SP3	C[6]	P[5,6,6]	Si	3:3:4:	4:3:3:	3:4:4:4:	P[5,6,6]-3:C[6]-3:Si-4:	C[5,3x6]-4:P[3,5,6]-3:C[6]-3:	C[6]-3:C-4:C-4:C-4:	C[6](P[5,6,6]C[5,3x6]P[3,5,6])(C[6]C[6]H)(SiC3)	P[5,6,6](C[5,3x6]C[6,6,6a]C[5,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(C[6]C[6]Si)	Si(C[6]P[5,6,6]C[6])(CH3)3	C[6](P[5,6,6]C[5,3x6]P[3,5,6])(C[6]C[6]H)(SiC3){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	P[5,6,6](C[5,3x6]C[6,6,6a]C[5,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(C[6]C[6]Si){2|Si<4>,3|C<3>,3|H<1>}	Si(C[6]P[5,6,6]C[6])(CH3)3	122.9530	0.000	1	122.9530	0.000	1	122.9530	0.000	1	122.9530	0.000	1	122.9530	0.000	1	122.9530	0.000	1
762	254	466	6:SP2_SP3_SP3	C[6]	Ge[6]	C[6]	4:4:2:	3:3:2:4:	3:3:1:1:	Ge[6]-4:C[6]-4:P-2:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6](Ge[6]C[6a]O[6]C)(C[6]C[6]HH)(PC[6a])	Ge[6](C[6a]C[6a]2)(C[6]C[6]P)(O[6]C[6])(CC3)	C[6](C[6]Ge[6]P)(C[6]C[6]H)(H)2	C[6](Ge[6]C[6a]O[6]C)(C[6]C[6]HH)(PC[6a]){1|H<1>,3|C<3>}	Ge[6](C[6a]C[6a]2)(C[6]C[6]P)(O[6]C[6])(CC3){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]Ge[6]P)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>}	110.4960	0.000	1	110.4960	0.000	1	110.4960	0.000	1	110.4960	0.000	1	110.4960	0.000	1	110.4960	0.000	1
762	254	486	0:SP2_SP3_SP3	C[6,6]	Ge[3x6]	C[3]	4:3:4:	4:3:3:3:	3:4:4:4:	Ge[3x6]-4:C[6,6]-3:C[3]-4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:C[3]-4:C[3]-4:C-4:	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]H)(C[3]C[3]2C)	Ge[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H)(C[6a]C[6a]2)	C[3](C[6,6]Ge[3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3)	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]H)(C[3]C[3]2C){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	Ge[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H)(C[6a]C[6a]2){1|Ge<4>,2|H<1>,5|C<4>,6|C<3>}	C[3](C[6,6]Ge[3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3){1|Ge<4>,1|C<4>,1|H<1>,4|C<3>}	127.4280	0.000	1	127.4280	0.000	1	127.4280	0.000	1	127.4280	0.000	1	127.4280	0.000	1	127.4280	0.000	1
762	254	490	0:SP2_SP3_SP3	C[6]	Ge[6]	C	4:3:4:	3:3:3:2:	3:4:1:1:	Ge[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6]-3:C-4:H-1:H-1:	C[6](Ge[6]C[6a]C[6]O)(C[6]Ge[5,6]C)(CCHH)	Ge[6](C[6a]C[6a]2)(C[6]C[6]C)2(OH)	C(C[6]Ge[6]C[6])(CH3)(H)2	C[6](Ge[6]C[6a]C[6]O)(C[6]Ge[5,6]C)(CCHH){1|C<4>,1|O<2>,4|C<3>}	Ge[6](C[6a]C[6a]2)(C[6]C[6]C)2(OH){1|Ge<4>,2|C<3>,4|C<4>}	C(C[6]Ge[6]C[6])(CH3)(H)2	115.6690	0.892	2	115.6690	0.796	2	115.6690	0.796	2	115.6690	0.796	2	115.6690	0.796	2	115.6690	0.796	2
762	254	762	6:SP2_SP2_SP3	C[6,6]	Ge[3x6]	C[6,6]	4:3:1:	4:3:3:3:	4:3:4:	Ge[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6a]-3:	Ge[5,3x6]-4:C[6,6]-3:C[3]-4:	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]C[3])(H)	Ge[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H)(C[6a]C[6a]2)	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]H)(C[3]C[3]2C)	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]C[3])(H){1|H<1>,5|C<3>,5|C<4>}	Ge[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H)(C[6a]C[6a]2){1|Ge<4>,2|H<1>,5|C<4>,6|C<3>}	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]H)(C[3]C[3]2C){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	125.7470	0.000	1	125.7470	0.000	1	125.7470	0.000	1	125.7470	0.000	1	117.2550	144.228	2	122.3748	81.241	5
762	254	762	6:SP2_SP2_SP3	C[6,6]	Ge[3x6]	C[6,6]	4:3:4:	4:3:3:3:	4:3:1:	Ge[3x6]-4:C[6,6]-3:C[3]-4:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6a]-3:	Ge[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]H)(C[3]C[3]2C)	Ge[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H)(C[6a]C[6a]2)	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]C[3])(H)	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]H)(C[3]C[3]2C){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	Ge[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H)(C[6a]C[6a]2){1|Ge<4>,2|H<1>,5|C<4>,6|C<3>}	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]C[3])(H){5|C<3>,6|C<4>}	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	108.7630	0.000	1	117.2550	144.228	2	122.3748	81.241	5
762	254	762	6:SP2_SP2_SP3	C[6]	Ge[6]	C[6]	3:4:1:	4:3:4:4:	4:3:3:	C[6]-3:Ge[6]-4:H-1:	Si[6]-4:C[6]-3:Si-4:Si-4:	Ge[4,6]-4:C[6a]-3:C[6]-3:	C[6](C[6]Ge[4,6]C[6a])(Ge[6]Si[6]Si2)(H)	Ge[6](Si[6]Si[6]CC)(C[6]C[6]H)(SiC3)2	C[6](Ge[4,6]Ge[4]Si[6]C[4])(C[6a]C[6a]2)(C[6]Ge[6]H)	C[6](C[6]Ge[4,6]C[6a])(Ge[6]Si[6]Si2)(H){1|Ge<4>,1|Si<4>,2|C<4>,3|C<3>}	Ge[6](Si[6]Si[6]CC)(C[6]C[6]H)(SiC3)2{1|Ge<4>,1|C<3>,2|C<4>}	C[6](Ge[4,6]Ge[4]Si[6]C[4])(C[6a]C[6a]2)(C[6]Ge[6]H){5|Si<4>,2|C<4>,2|H<1>,4|C<3>}	133.6330	0.000	1	133.6330	0.000	1	133.6330	0.000	1	133.6330	0.000	1	125.7880	46.681	3	122.3748	81.241	5
762	254	762	6:SP2_SP2_SP3	C[6]	Ge[6]	C[6]	4:3:4:	3:3:3:2:	4:3:4:	Ge[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:O-2:	Ge[5,6]-4:C[6]-3:C-4:	C[6](Ge[6]C[6a]C[6]O)(C[6]Ge[5,6]C)(CCHH)	Ge[6](C[6a]C[6a]2)(C[6]C[6]C)2(OH)	C[6](Ge[5,6]C[5,6a]C[6]O[5])(C[6]Ge[6]C)(CCHH)	C[6](Ge[6]C[6a]C[6]O)(C[6]Ge[5,6]C)(CCHH){1|C<4>,1|O<2>,4|C<3>}	Ge[6](C[6a]C[6a]2)(C[6]C[6]C)2(OH){1|Ge<4>,2|C<3>,4|C<4>}	C[6](Ge[5,6]C[5,6a]C[6]O[5])(C[6]Ge[6]C)(CCHH){1|O<2>,2|C<4>,4|C<3>}	121.8655	1.023	2	121.8655	1.047	2	121.8655	1.047	2	121.8655	1.047	2	125.7880	46.681	3	122.3748	81.241	5
762	254	930	0:SP2_SP2_SP3	C[6]	Ge[6]	C	4:4:3:	3:3:3:2:	3:4:1:	Ga[6]-4:Ge[6]-4:C-3:	N[6]-3:C[6]-3:N-3:C-2:	C[6]-3:C-4:H-1:	C[6](Ga[6]S[6]CC)(Ge[6]N[6]CN)(CCH)	Ge[6](N[6]C[6a]C[6])(C[6]Ga[6]C)(NCC)(CC)	C(C[6]Ga[6]Ge[6])(CC3)(H)	C[6](Ga[6]S[6]CC)(Ge[6]N[6]CN)(CCH){2|C<3>}	Ge[6](N[6]C[6a]C[6])(C[6]Ga[6]C)(NCC)(CC){1|N<3>,1|S<2>,2|C<3>,2|C<4>}	C(C[6]Ga[6]Ge[6])(CC3)(H)	126.2330	0.000	1	126.2330	0.000	1	126.2330	0.000	1	126.2330	0.000	1	126.2330	0.000	1	126.2330	0.000	1
762	254	940	0:SP2_SP-NON_SP3	C[6]	Ge[6]	P	4:4:2:	3:3:2:4:	3:3:	Ge[6]-4:C[6]-4:P-2:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6]-3:C[6a]-3:	C[6](Ge[6]C[6a]O[6]C)(C[6]C[6]HH)(PC[6a])	Ge[6](C[6a]C[6a]2)(C[6]C[6]P)(O[6]C[6])(CC3)	P(C[6]Ge[6]C[6])(C[6a]C[6a]2)	C[6](Ge[6]C[6a]O[6]C)(C[6]C[6]HH)(PC[6a]){1|H<1>,3|C<3>}	Ge[6](C[6a]C[6a]2)(C[6]C[6]P)(O[6]C[6])(CC3){2|H<1>,3|C<3>,3|C<4>}	P(C[6]Ge[6]C[6])(C[6a]C[6a]2)	119.3660	0.000	1	119.3660	0.000	1	119.3660	0.000	1	119.3660	0.000	1	119.3660	0.000	1	119.3660	0.000	1
762	254	943	6:SP2_SP-NON_SP3	C[6]	Ge[6]	Ga[6]	4:4:3:	3:3:3:2:	3:2:4:4:	Ga[6]-4:Ge[6]-4:C-3:	N[6]-3:C[6]-3:N-3:C-2:	C[6]-3:S[6]-2:C-4:C-4:	C[6](Ga[6]S[6]CC)(Ge[6]N[6]CN)(CCH)	Ge[6](N[6]C[6a]C[6])(C[6]Ga[6]C)(NCC)(CC)	Ga[6](C[6]Ge[6]C)(S[6]C[6])(CC3)2	C[6](Ga[6]S[6]CC)(Ge[6]N[6]CN)(CCH){2|C<3>}	Ge[6](N[6]C[6a]C[6])(C[6]Ga[6]C)(NCC)(CC){1|N<3>,1|S<2>,2|C<3>,2|C<4>}	Ga[6](C[6]Ge[6]C)(S[6]C[6])(CC3)2{1|C<2>,3|N<3>}	116.0420	0.000	1	116.0420	0.000	1	116.0420	0.000	1	116.0420	0.000	1	116.0420	0.000	1	116.0420	0.000	1
762	254	951	0:SP2_SP-NON_SP3	C[6,6]	Ge[3x6]	H	4:3:1:	4:3:3:3:	3:	Ge[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]C[3])(H)	Ge[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H)(C[6a]C[6a]2)	H(C[6,6]Ge[3x6]C[6,6])	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]C[3])(H){1|H<1>,5|C<3>,5|C<4>}	Ge[3x6](C[3x6]C[5,3x6]C[6]H)(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H)(C[6a]C[6a]2){1|Ge<4>,2|H<1>,5|C<4>,6|C<3>}	H(C[6,6]Ge[3x6]C[6,6])	117.0850	0.000	1	117.0850	0.000	1	117.0850	0.000	1	117.0850	0.000	1	117.0850	0.000	1	115.1390	7.574	2
762	254	951	0:SP2_SP-NON_SP3	C[6]	Ge[6]	H	3:4:1:	4:3:4:4:	3:	C[6]-3:Ge[6]-4:H-1:	Si[6]-4:C[6]-3:Si-4:Si-4:	C[6]-3:	C[6](C[6]Ge[4,6]C[6a])(Ge[6]Si[6]Si2)(H)	Ge[6](Si[6]Si[6]CC)(C[6]C[6]H)(SiC3)2	H(C[6]Ge[6]C[6])	C[6](C[6]Ge[4,6]C[6a])(Ge[6]Si[6]Si2)(H){1|Ge<4>,1|Si<4>,2|C<4>,3|C<3>}	Ge[6](Si[6]Si[6]CC)(C[6]C[6]H)(SiC3)2{1|Ge<4>,1|C<3>,2|C<4>}	H(C[6]Ge[6]C[6])	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	115.1390	7.574	2
762	278	643	0:SP2_SP2_SP2	C[6]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:Ge[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6]C[6a]Ge[6])(Ge[6]C[6a]C[6])(C[6a]C[6a]2)	Ge[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6]Ge[6]C[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]Ge[6])(Ge[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,9|C<3>}	Ge[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|Ge<3>,2|C<4>,8|C<3>}	C[6a](C[6]Ge[6]C[6])(C[6a]C[6a]H)2{1|Ge<3>,2|H<1>,4|C<3>}	117.6915	2.457	2	117.6915	6.038	2	117.6915	6.038	2	117.6915	6.038	2	117.6915	6.038	2	117.6915	6.038	2
762	278	762	6:SP2_SP2_SP2	C[6,6]	Ge[3x6]	C[6,6]	3:3:1:	3:3:3:	4:3:1:	Ge[3x6]-3:C[6,6]-3:H-1:	N[6,6]-3:N[6,6]-3:C[6,6]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6](Ge[3x6]N[6,6]2)(C[6,6]C[3x6]H)(H)	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(H)	C[6,6](Ge[3x6]N[6,6]2)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H){1|H<1>,2|C<4>,5|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(H){1|C<3>,1|C<4>,2|N<3>}	115.3080	0.000	1	115.3080	0.000	1	115.3080	0.000	1	115.3080	0.000	1	116.4935	2.811	2	120.2109	23.358	7
762	278	762	6:SP2_SP2_SP2	C[6,6]	Ge[3x6]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6]-3:Ge[3x6]-3:H-1:	N[6,6]-3:N[6,6]-3:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[3x6]C[6a])(Ge[3x6]N[6,6]2)(H)	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(C[6a]C[6a]2)	C[6,6](C[6,6]C[3x6]C[6a])(Ge[3x6]N[6,6]2)(H){1|H<1>,6|C<3>}	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H){2|C<4>,6|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]Ge[3x6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	117.6790	0.000	1	117.6790	0.000	1	117.6790	0.000	1	117.6790	0.000	1	116.4935	2.811	2	120.2109	23.358	7
762	278	762	6:SP2_SP2_SP2	C[6]	Ge[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	Ge[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](Ge[6]C[6a]C[6])(C[6]C[6]H)(H)	Ge[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H)	C[6](Ge[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	Ge[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	117.8000	0.107	2	117.8000	0.012	2	117.8000	0.012	2	121.6353	44.135	3	121.6978	24.662	5	120.2109	23.358	7
762	278	762	6:SP2_SP2_SP2	C[6]	Ge[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	Ge[6]-3:C[6]-3:H-1:	Ge[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](Ge[6]C[6a]Ge[6])(C[6]C[6]H)(H)	Ge[6](Ge[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H)	C[6](Ge[6]C[6a]Ge[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	Ge[6](Ge[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	129.3060	0.000	1	129.3060	0.000	1	129.3060	0.000	1	121.6353	44.135	3	121.6978	24.662	5	120.2109	23.358	7
762	278	762	6:SP2_SP2_SP2	C[6]	Ge[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:Ge[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:Ge[6]-3:C[6a]-3:	C[6](C[6]C[6a]Ge[6])(Ge[6]C[6a]C[6])(C[6a]C[6a]2)	Ge[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]Ge[6])(Ge[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]Ge[6])(Ge[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,9|C<3>}	Ge[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|Ge<3>,2|C<4>,8|C<3>}	C[6](C[6]C[6a]Ge[6])(Ge[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,9|C<3>}	121.7915	3.217	2	121.7915	10.347	2	121.7915	10.347	2	121.7915	10.347	2	121.6978	24.662	5	120.2109	23.358	7
762	278	951	0:SP2_SP-NON_SP2	C[6,6]	Ge[3x6]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:Ge[3x6]-3:H-1:	N[6,6]-3:N[6,6]-3:C[6,6]-3:	C[6,6]-3:	C[6,6](C[6,6]C[3x6]C[6a])(Ge[3x6]N[6,6]2)(H)	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H)	H(C[6,6]Ge[3x6]C[6,6])	C[6,6](C[6,6]C[3x6]C[6a])(Ge[3x6]N[6,6]2)(H){1|H<1>,6|C<3>}	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H){2|C<4>,6|C<3>}	H(C[6,6]Ge[3x6]C[6,6])	121.1820	0.000	1	121.1820	0.000	1	121.1820	0.000	1	121.7700	0.691	2	121.7700	0.691	2	120.8964	10.177	5
762	278	951	0:SP2_SP-NON_SP2	C[6,6]	Ge[3x6]	H	3:3:1:	3:3:3:	3:	Ge[3x6]-3:C[6,6]-3:H-1:	N[6,6]-3:N[6,6]-3:C[6,6]-3:	C[6,6]-3:	C[6,6](Ge[3x6]N[6,6]2)(C[6,6]C[3x6]H)(H)	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H)	H(C[6,6]Ge[3x6]C[6,6])	C[6,6](Ge[3x6]N[6,6]2)(C[6,6]C[3x6]H)(H){1|H<1>,4|C<3>}	Ge[3x6](N[6,6]C[6,6]C[6a])2(C[6,6]C[6,6]H){1|H<1>,2|C<4>,5|C<3>}	H(C[6,6]Ge[3x6]C[6,6])	122.3580	0.000	1	122.3580	0.000	1	122.3580	0.000	1	121.7700	0.691	2	121.7700	0.691	2	120.8964	10.177	5
762	278	951	0:SP2_SP-NON_SP2	C[6]	Ge[6]	H	3:3:1:	3:3:3:	3:	Ge[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](Ge[6]C[6a]C[6])(C[6]C[6]H)(H)	Ge[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]Ge[6]C[6])	C[6](Ge[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	Ge[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]Ge[6]C[6])	122.8130	0.030	2	122.8130	0.001	2	122.8130	0.001	2	120.3140	18.735	3	120.3140	18.735	3	120.8964	10.177	5
762	278	951	0:SP2_SP-NON_SP2	C[6]	Ge[6]	H	3:3:1:	3:3:3:	3:	Ge[6]-3:C[6]-3:H-1:	Ge[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](Ge[6]C[6a]Ge[6])(C[6]C[6]H)(H)	Ge[6](Ge[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]Ge[6]C[6])	C[6](Ge[6]C[6a]Ge[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	Ge[6](Ge[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]Ge[6]C[6])	115.3160	0.000	1	115.3160	0.000	1	115.3160	0.000	1	120.3140	18.735	3	120.3140	18.735	3	120.8964	10.177	5
762	282	643	0:SP2_SP2_SP2	C[6]	As[6]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:As[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(As[6]C[6]C)(C[6]As[6]H)	As[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6a](C[6]As[6]C[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(As[6]C[6]C)(C[6]As[6]H){1|C<4>,3|C<3>,3|H<1>}	As[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|As<3>,1|H<1>,3|C<3>}	C[6a](C[6]As[6]C[6])(C[6a]C[6a]H)2{1|As<3>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	115.8045	1.306	2	116.8910	4.980	6	116.8910	4.980	6	116.8910	4.980	6	116.8910	4.980	6	116.8910	4.980	6
762	282	643	0:SP2_SP2_SP2	C[6]	As[6]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:As[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6a]C[6a]2)(As[6]C[6]C)(C[6]As[6]H)	As[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6a](C[6]As[6]C[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(As[6]C[6]C)(C[6]As[6]H){1|C<4>,3|C<3>,3|H<1>}	As[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|As<3>,1|H<1>,3|C<3>}	C[6a](C[6]As[6]C[6])(C[6a]C[6a]H)2{1|As<3>,1|C<4>,2|C<3>,3|H<1>}	117.4343	2.560	4	116.8910	4.980	6	116.8910	4.980	6	116.8910	4.980	6	116.8910	4.980	6	116.8910	4.980	6
762	282	762	6:SP2_SP2_SP2	C[6]	As[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:As[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:As[6]-3:C[6]-3:	C[6](C[6]As[6]C[6a])(As[6]C[6]C)(H)	As[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(As[6]C[6]C)(C[6]As[6]H)	C[6](C[6]As[6]C[6a])(As[6]C[6]C)(H){1|C<4>,4|C<3>}	As[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|As<3>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(As[6]C[6]C)(C[6]As[6]H){1|C<4>,3|C<3>,3|H<1>}	127.7072	1.607	6	127.7072	2.582	6	127.7072	2.582	6	127.7072	2.582	6	124.3482	11.701	33	124.3482	11.701	33
762	282	762	6:SP2_SP2_SP2	C[6]	As[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:As[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:As[6]-3:H-1:	C[6](C[6a]C[6a]2)(As[6]C[6]C)(C[6]As[6]H)	As[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]As[6]C[6a])(As[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(As[6]C[6]C)(C[6]As[6]H){1|C<4>,3|C<3>,3|H<1>}	As[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|As<3>,1|H<1>,3|C<3>}	C[6](C[6]As[6]C[6a])(As[6]C[6]C)(H){1|C<4>,4|C<3>}	121.3788	3.258	6	121.3788	10.613	6	121.3788	10.613	6	121.3788	10.613	6	124.3482	11.701	33	124.3482	11.701	33
762	282	762	6:SP2_SP2_SP2	C[6]	As[6]	C[6]	3:3:3:	3:3:4:	3:3:3:	As[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	As[6]-3:C[6]-3:C-3:	C[6](As[6]C[6]C)(C[6]As[6]C)(COO)	As[6](C[6]C[6]C)2(CH3)	C[6](As[6]C[6]C)(C[6]As[6]C)(COO)	C[6](As[6]C[6]C)(C[6]As[6]C)(COO){1|C<4>,2|C<3>}	As[6](C[6]C[6]C)2(CH3){1|As<3>,2|C<3>}	C[6](As[6]C[6]C)(C[6]As[6]C)(COO){1|C<4>,2|C<3>}	122.6563	3.010	10	122.6563	9.058	10	122.6563	9.058	10	122.6563	9.058	10	124.3482	11.701	33	124.3482	11.701	33
762	282	762	6:SP2_SP2_SP2	C[6]	As[6]	C[6]	3:3:3:	3:3:4:	4:3:3:	As[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	As[6]-4:C[6]-3:C-3:	C[6](As[6]C[6]C)(C[6]As[6]C)(COO)	As[6](C[6]C[6]C)2(CH3)	C[6](As[6]C[6]PtC)(C[6]As[6]C)(COO)	C[6](As[6]C[6]C)(C[6]As[6]C)(COO){1|Pt<4>,1|C<4>,2|C<3>}	As[6](C[6]C[6]C)2(CH3){1|As<4>,2|C<3>}	C[6](As[6]C[6]PtC)(C[6]As[6]C)(COO){1|C<4>,2|C<3>}	125.6739	2.416	11	125.6739	5.839	11	125.6739	5.839	11	125.6739	5.839	11	124.3482	11.701	33	124.3482	11.701	33
762	282	930	0:SP2_SP2_SP2	C[6]	As[6]	C	3:3:3:	3:3:4:	3:2:1:	As[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](As[6]C[6]C)(C[6]As[6]C)(COO)	As[6](C[6]C[6]C)2(CH3)	C(C[6]As[6]C[6])(OC)(O)	C[6](As[6]C[6]C)(C[6]As[6]C)(COO){1|C<4>,2|C<3>}	As[6](C[6]C[6]C)2(CH3){1|As<3>,2|C<3>}	C(C[6]As[6]C[6])(OC)(O)	115.4913	3.158	10	114.2359	10.735	22	114.2359	10.735	22	114.2359	10.735	22	114.2359	10.735	22	114.2359	10.735	22
762	282	930	0:SP2_SP2_SP2	C[6]	As[6]	C	3:3:3:	3:3:4:	3:2:1:	As[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](As[6]C[6]C)(C[6]As[6]C)(COO)	As[6](C[6]C[6]C)2(CH3)	C(C[6]As[6]C[6])(OC)(O)	C[6](As[6]C[6]C)(C[6]As[6]C)(COO){1|Pt<4>,1|C<4>,2|C<3>}	As[6](C[6]C[6]C)2(CH3){1|As<4>,2|C<3>}	C(C[6]As[6]C[6])(OC)(O)	113.1898	3.116	12	114.2359	10.735	22	114.2359	10.735	22	114.2359	10.735	22	114.2359	10.735	22	114.2359	10.735	22
762	282	951	0:SP2_SP-NON_SP2	C[6]	As[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:As[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]As[6]C[6a])(As[6]C[6]C)(H)	As[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	H(C[6]As[6]C[6])	C[6](C[6]As[6]C[6a])(As[6]C[6]C)(H){1|C<4>,4|C<3>}	As[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|As<3>,1|H<1>,3|C<3>}	H(C[6]As[6]C[6])	116.1307	0.778	6	116.1307	0.605	6	116.1307	0.605	6	116.1307	0.605	6	116.1307	0.605	6	116.1307	0.605	6
762	286	286	6:SP2_SP2_SP2	C[6]	S[6]	S[6]	2:2:1:	4:3:	4:3:	S[6]-2:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](S[6]C[6])2(S)	S[6](C[6]C[6]HH)(C[6]S[6]S)	S[6](C[6]C[6]HH)(C[6]S[6]S)	C[6](S[6]C[6])2(S){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]S){1|C<3>,1|C<4>,1|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]S){1|C<3>,1|C<4>,1|H<1>}	125.9815	0.062	2	126.6570	1.054	4	126.6570	1.054	4	126.6570	1.054	4	122.4440	8.341	41	122.4440	8.341	41
762	286	286	6:SP2_SP2_SP2	C[6]	S[6]	S[6]	2:2:1:	4:3:	4:3:	S[6]-2:S[6]-2:S-1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](S[6]C[6])2(S)	S[6](C[6]C[6]HH)(C[6]S[6]S)	S[6](C[6]C[6]HH)(C[6]S[6]S)	C[6](S[6]C[6])2(S){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]S){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]S){1|C<4>,2|H<1>}	127.3325	1.155	2	126.6570	1.054	4	126.6570	1.054	4	126.6570	1.054	4	122.4440	8.341	41	122.4440	8.341	41
762	286	286	6:SP2_SP2_SP2	C[6]	S[6]	S[6]	2:2:3:	4:3:	4:3:	S[6]-2:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](S[6]C[6])2(CCC)	S[6](C[6]C[6,6]HH)(C[6]S[6]C)	S[6](C[6]C[6,6]HH)(C[6]S[6]C)	C[6](S[6]C[6])2(CCC){1|C<4>,4|H<1>}	S[6](C[6]C[6,6]HH)(C[6]S[6]C){3|C<4>}	S[6](C[6]C[6,6]HH)(C[6]S[6]C){3|C<4>}	119.3780	0.000	1	119.3780	0.000	1	119.5162	3.628	5	121.2117	7.637	13	122.4440	8.341	41	122.4440	8.341	41
762	286	286	6:SP2_SP2_SP2	C[6]	S[6]	S[6]	2:2:3:	4:3:	4:3:	S[6]-2:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](S[6]C[6])2(CCC)	S[6](C[6]C[6]HH)(C[6]S[6]C)	S[6](C[6]C[6]HH)(C[6]S[6]C)	C[6](S[6]C[6])2(CCC){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]C){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]C){1|C<4>,2|H<1>}	120.3247	1.911	3	120.3247	3.651	3	119.5162	3.628	5	121.2117	7.637	13	122.4440	8.341	41	122.4440	8.341	41
762	286	286	6:SP2_SP2_SP2	C[6]	S[6]	S[6]	2:2:3:	4:3:	4:3:	S[6]-2:S[6]-2:C-3:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](S[6]C[6])2(CC[6a]C)	S[6](C[6]C[6]HH)(C[6]S[6]C)	S[6](C[6]C[6]HH)(C[6]S[6]C)	C[6](S[6]C[6])2(CC[6a]C){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]C){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]C){1|C<4>,2|H<1>}	117.2290	0.000	1	117.2290	0.000	1	119.5162	3.628	5	121.2117	7.637	13	122.4440	8.341	41	122.4440	8.341	41
762	286	286	6:SP2_SP2_SP2	C[6]	S[6]	S[6]	2:2:3:	4:3:	4:3:	S[6]-2:S[6]-2:N-3:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](S[6]C[6])2(NFeN)	S[6](C[6]C[6]HH)(C[6]S[6]N)	S[6](C[6]C[6]HH)(C[6]S[6]N)	C[6](S[6]C[6])2(NFeN){1|C<4>,4|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]N){1|C<4>,2|H<1>}	S[6](C[6]C[6]HH)(C[6]S[6]N){1|C<4>,2|H<1>}	122.2714	2.772	8	122.2714	7.682	8	122.2714	7.682	8	121.2117	7.637	13	122.4440	8.341	41	122.4440	8.341	41
762	286	286	6:SP2_SP2_SP2	C[6]	S[6]	S[6]	3:2:2:	3:4:	3:2:	C[5a]-3:S[6]-2:S[6]-2:	C[6]-3:C[6]-4:	C[6]-3:C[6]-2:	C[6](C[5a]S[5a]2)(S[6]C[6])2	S[6](C[6]C[5a]S[6])(C[6]C[6]HH)	S[6](C[6]C[5a]S[6])(C[6]C[6])	C[6](C[5a]S[5a]2)(S[6]C[6])2{1|C<4>,2|C<3>,2|H<1>}	S[6](C[6]C[5a]S[6])(C[6]C[6]HH){1|C<2>,2|H<1>,2|S<2>}	S[6](C[6]C[5a]S[6])(C[6]C[6]){1|C<4>,2|H<1>,2|S<2>}	122.0920	0.000	1	122.0920	0.000	1	122.0920	0.000	1	122.0920	0.000	1	122.4440	8.341	41	122.4440	8.341	41
762	286	286	6:SP2_SP2_SP2	C[6]	S[6]	S[6]	3:2:2:	3:4:	3:4:	C[5]-3:S[6]-2:S[6]-2:	C[6]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](C[5]S[5]2)(S[6]C[6])2	S[6](C[6]C[5]S[6])(C[6]C[6]HH)	S[6](C[6]C[5]S[6])(C[6]C[6]HH)	C[6](C[5]S[5]2)(S[6]C[6])2{1|C<4>,2|C<3>,4|H<1>}	S[6](C[6]C[5]S[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|S<2>}	S[6](C[6]C[5]S[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|S<2>}	123.2115	2.538	12	123.2115	6.442	12	123.2115	6.442	12	122.4232	6.725	23	122.4440	8.341	41	122.4440	8.341	41
762	286	286	6:SP2_SP2_SP2	C[6]	S[6]	S[6]	3:2:2:	3:4:	3:4:	C[5a]-3:S[6]-2:S[6]-2:	C[6]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](C[5a]S[5a]2)(S[6]C[6])2	S[6](C[6]C[5a]S[6])(C[6]C[6]HH)	S[6](C[6]C[5a]S[6])(C[6]C[6]HH)	C[6](C[5a]S[5a]2)(S[6]C[6])2{1|C<4>,2|C<3>,4|H<1>}	S[6](C[6]C[5a]S[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|S<2>}	S[6](C[6]C[5a]S[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|S<2>}	121.5633	2.480	11	121.5633	6.150	11	121.5633	6.150	11	122.4232	6.725	23	122.4440	8.341	41	122.4440	8.341	41