181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a,6a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:S[5a]-2:	C[5a]-3:S[5a]-2:C-4:	S[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH)	S[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(S[5a]N[5a]){1|C<3>,1|O<1>,3|C<4>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CN[6]HH){1|C<3>,1|N<2>}	89.7183	0.587	5	89.7183	0.344	5	89.7183	0.344	5	89.7183	0.344	5	90.0923	0.246	26	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:S[5a]-2:H-1:	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(H)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|O<1>,3|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(H){2|C<3>}	90.3713	0.162	2	90.3713	0.026	2	90.3713	0.026	2	90.3713	0.026	2	90.0923	0.246	26	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:S[5a]-2:C-3:	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(COO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(COO){2|C<3>}	89.9454	0.083	4	89.9454	0.007	4	89.9454	0.007	4	89.9737	0.207	8	90.0923	0.246	26	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:S[5a]-2:C[6a]-3:	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(C[6a]C[6a]2)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	90.3285	0.267	3	90.3285	0.071	3	90.3285	0.071	3	89.9737	0.207	8	90.0923	0.246	26	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:S[5a]-2:N-3:	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NHS)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NHS){2|C<3>}	89.0222	0.000	1	89.0222	0.000	1	89.0222	0.000	1	89.9737	0.207	8	90.0923	0.246	26	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:S[5a]-2:C-4:	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C[5])(S[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C[5])(S[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3){2|C<3>}	90.1215	0.000	1	90.1215	0.000	1	90.2978	0.186	11	90.2978	0.186	11	90.0923	0.246	26	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:S[5a]-2:C-4:	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC3){2|C<3>}	90.9836	0.000	1	90.9836	0.000	1	90.2978	0.186	11	90.2978	0.186	11	90.0923	0.246	26	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:S[5a]-2:C-4:	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCHH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CCHH){2|C<3>}	89.7570	0.000	1	89.7570	0.000	1	90.2978	0.186	11	90.2978	0.186	11	90.0923	0.246	26	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:S[5a]-2:C-4:	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[5a]CC)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[5a]CC){2|C<3>}	90.3488	0.359	4	90.3488	0.129	4	90.2978	0.186	11	90.2978	0.186	11	90.0923	0.246	26	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:S[5a]-2:C-4:	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CC)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]CC){2|C<3>}	90.5410	0.000	1	90.5410	0.000	1	90.2978	0.186	11	90.2978	0.186	11	90.0923	0.246	26	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:S[5a]-2:C-4:	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]HH)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	89.5576	0.000	1	89.5576	0.000	1	90.2978	0.186	11	90.2978	0.186	11	90.0923	0.246	26	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:S[5a]-2:C-4:	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHN)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHN){2|C<3>}	90.4142	0.000	1	90.4142	0.000	1	90.2978	0.186	11	90.2978	0.186	11	90.0923	0.246	26	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:S[5a]-2:C-4:	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHO)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CHHO){2|C<3>}	90.5051	0.000	1	90.5051	0.000	1	90.2978	0.186	11	90.2978	0.186	11	90.0923	0.246	26	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:S[5a]-2:O-1:	C[5a,6a]-3:S[5a]-2:C-3:	S[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])(O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCH)	S[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]N[5a])(O){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CCH){1|H<1>,1|O<1>,2|C<3>}	92.8495	0.000	1	92.8495	0.000	1	92.8495	0.000	1	92.8495	0.000	1	90.5952	2.081	5	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:S[5a]-2:C-4:	S[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(Cl)	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C){1|H<1>,1|O<1>}	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(Cl){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3){1|Cl<1>,1|H<1>}	89.7994	0.107	2	89.7994	0.011	2	89.7994	0.011	2	89.7994	0.011	2	90.5952	2.081	5	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:Cl-1:	C[5a]-3:C[6a]-3:S[5a]-2:	S[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl)	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(Cl)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a])	S[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Cl){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(Cl){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(S[5a]C[5a]){1|Cl<1>,2|C<3>,3|H<1>}	89.3301	0.000	1	89.3301	0.000	1	89.3301	0.000	1	89.3301	0.000	1	90.5952	2.081	5	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP2	S[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:S[5a]-2:N-2:	C[5a]-3:S[5a]-2:C-4:	S[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NC[6a])	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3)	S[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<2>,1|O<1>}	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NC[6a]){1|C<4>,1|O<1>}	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(CH3){1|C<2>,1|N<2>}	91.1977	0.000	1	91.1977	0.000	1	91.1977	0.000	1	91.1977	0.000	1	90.5952	2.081	5	90.1734	0.517	31
181	727	813	5:SP2_SP2_SP3	S[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[5a]-3:S[5a]-2:N-3:	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NSS)	S[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(NSS){2|C<3>}	89.1230	0.000	1	89.1230	0.000	1	89.1230	0.000	1	89.1230	0.000	1	89.1230	0.000	1	90.2786	2.671	2
181	727	813	5:SP2_SP2_SP3	S[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:S[5a]-2:N-3:	C[5a]-3:S[5a]-2:H-1:	S[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NCH)	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(H)	S[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<2>,1|O<1>}	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NCH){1|H<1>,1|O<1>}	N[5a](C[5a]C[5a]O)(S[5a]C[5a])(H){1|C<2>,1|N<3>}	91.4342	0.000	1	91.4342	0.000	1	91.4342	0.000	1	91.4342	0.000	1	91.4342	0.000	1	90.2786	2.671	2
194	466	466	6:SP3_SP3_SP3	O[6,6]	C[6,6]	C[6]	4:3:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:N[6,6]-3:C[6]-4:	O[6,6]-3:C[5,6]-4:C[6]-4:H-1:	O[6,6]-3:C[6]-4:H-1:H-1:	O[6,6](C[6,6]C[5,6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	C[6](O[6,6]C[6,6]N[6,6])(C[6]O[6]CH)(H)2	O[6,6](C[6,6]C[5,6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](O[6,6]C[6,6]N[6,6])(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	112.6730	0.000	1	112.6730	0.000	1	112.6730	0.000	1	112.6730	0.000	1	112.6730	0.000	1	111.9470	1.054	2
194	466	466	6:SP3_SP3_SP3	O[6]	C[6]	C[6]	4:4:6:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:In-6:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	O[6](C[6]C[6]HH)2(InCl5)	C[6](C[6]N[6]HH)(O[6]C[6]In)(H)2	C[6](C[6]N[6]HH)(O[6]C[6]In)(H)2	O[6](C[6]C[6]HH)2(InCl5){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6]In)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6]In)(H)2{1|C<4>,4|H<1>}	111.2210	0.000	1	111.2210	0.000	1	111.2210	0.000	1	111.2210	0.000	1	111.2210	0.000	1	111.9470	1.054	2
194	466	849	0:SP3_SP3_SP3	O[6]	C[6]	P[6]	4:4:4:	3:4:1:1:	3:2:2:1:	P[6,6]-4:P[6]-4:C[6]-4:	O[6]-3:C[6]-4:H-1:H-1:	O[6]-3:N[6]-2:N[6]-2:Cl-1:	O[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH)	C[6](O[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	P[6](O[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl)	O[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|P<4>}	C[6](O[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|N<2>}	P[6](O[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl){2|Cl<1>,1|C<4>,1|O<3>,2|H<1>,2|O<2>,3|N<2>}	118.2780	0.000	1	118.2780	0.000	1	118.2780	0.000	1	118.2780	0.000	1	118.2780	0.000	1	118.2780	0.000	1
194	466	849	6:SP3_SP3_SP3	O[6]	C[6]	P[6,6]	4:4:4:	3:4:1:1:	3:2:2:2:	P[6,6]-4:P[6]-4:C[6]-4:	O[6]-3:C[6]-4:H-1:H-1:	O[6]-3:N[6]-2:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH)	C[6](O[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	P[6,6](O[6]C[6]P[6])(N[6]P[6])2(O[6]C[6])	O[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|P<4>}	C[6](O[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|N<2>}	P[6,6](O[6]C[6]P[6])(N[6]P[6])2(O[6]C[6]){4|Cl<1>,1|C<4>,1|O<3>,3|N<2>,4|H<1>}	116.9510	0.000	1	116.9510	0.000	1	116.9510	0.000	1	116.9510	0.000	1	116.9510	0.000	1	116.9510	0.000	1
194	466	856	0:SP3_SP2_SP3	O[6,6]	C[6]	N[6,6]	4:3:4:	3:4:1:1:	3:3:3:	C[6,6]-4:N[6,6]-3:C[6]-4:	O[6,6]-3:C[6]-4:H-1:H-1:	O[6,6]-3:C[6,6]-3:C[6]-3:	O[6,6](C[6,6]C[5,6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](O[6,6]C[6,6]N[6,6])(C[6]O[6]CH)(H)2	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	O[6,6](C[6,6]C[5,6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6](O[6,6]C[6,6]N[6,6])(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,3|C<4>,7|H<1>}	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1
194	466	856	6:SP3_SP2_SP3	O[6,6]	C[6,6]	N[6,6]	4:3:4:	3:4:4:1:	3:3:3:	C[6,6]-4:N[6,6]-3:C[6]-4:	O[6,6]-3:C[5,6]-4:C[6]-4:H-1:	O[6,6]-3:C[6,6]-3:C[6]-3:	O[6,6](C[6,6]C[5,6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	O[6,6](C[6,6]C[5,6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6](O[6,6]N[6,6]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,3|C<4>,7|H<1>}	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1
194	762	762	6:SP3_SP2_SP2	O[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:O[6]-3:H-1:	C[6]-3:O[6]-3:H-1:	O[6](C[6]C[6]H)2(PRuOO)	C[6](C[6]C[6]H)(O[6]C[6]P)(H)	C[6](C[6]C[6]H)(O[6]C[6]P)(H)	O[6](C[6]C[6]H)2(PRuOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6]P)(H){1|C<3>,2|H<1>}	118.8550	0.000	1	118.8550	0.000	1	118.8550	0.000	1	118.8550	0.000	1	118.8550	0.000	1	118.8550	0.000	1
194	849	849	0:SP3_SP3_SP3	O[6]	P[6]	P[6,6]	4:4:4:	3:2:2:1:	3:2:2:2:	P[6,6]-4:P[6]-4:C[6]-4:	O[6]-3:N[6]-2:N[6]-2:Cl-1:	O[6]-3:N[6]-2:N[6]-2:O[6]-2:	O[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH)	P[6](O[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl)	P[6,6](O[6]C[6]P[6])(N[6]P[6])2(O[6]C[6])	O[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|P<4>}	P[6](O[6]P[6,6]C[6])(N[6]P[6,6])(N[6]P[6])(Cl){2|Cl<1>,1|C<4>,1|O<3>,2|H<1>,2|O<2>,3|N<2>}	P[6,6](O[6]C[6]P[6])(N[6]P[6])2(O[6]C[6]){4|Cl<1>,1|C<4>,1|O<3>,3|N<2>,4|H<1>}	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1
194	874	874	6:SP3_SP3_SP3	O[3x6]	B[6,6]	B[6,6]	4:4:4:	3:2:2:3:	3:2:2:2:	B[6,6]-4:B[6,6]-4:B[6,6]-4:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	O[3x6]-3:O[6]-2:O[6]-2:O-2:	O[3x6](B[6,6]O[6]2O)3	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OZnH)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OH)	O[3x6](B[6,6]O[6]2O)3{3|B<3>}	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OZnH){1|O<3>,7|O<2>}	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OH){2|O<3>,6|O<2>}	120.2210	2.827	2	120.2210	7.992	2	120.2210	7.992	2	120.2210	7.992	2	118.8982	3.466	5	119.2368	3.461	6
194	874	874	6:SP3_SP3_SP3	O[3x6]	B[6,6]	B[6,6]	4:4:4:	3:2:2:3:	3:2:2:3:	B[6,6]-4:B[6,6]-4:B[6,6]-4:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	O[3x6](B[6,6]O[6]2O)3	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OCoC)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OCoC)	O[3x6](B[6,6]O[6]2O)3{3|B<3>}	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OCoC){2|O<3>,6|O<2>}	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OCoC){2|O<3>,6|O<2>}	118.1700	0.000	1	118.1700	0.000	1	118.0163	0.019	3	118.0163	0.019	3	118.8982	3.466	5	119.2368	3.461	6
194	874	874	6:SP3_SP3_SP3	O[3x6]	B[6,6]	B[6,6]	4:4:4:	3:2:2:3:	3:2:2:3:	B[6,6]-4:B[6,6]-4:B[6,6]-4:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	O[3x6](B[6,6]O[6]2O)3	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(ONiC)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(ONiC)	O[3x6](B[6,6]O[6]2O)3{3|B<3>}	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(ONiC){2|O<3>,6|O<2>}	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(ONiC){2|O<3>,6|O<2>}	117.9760	0.000	1	117.9760	0.000	1	118.0163	0.019	3	118.0163	0.019	3	118.8982	3.466	5	119.2368	3.461	6
194	874	874	6:SP3_SP3_SP3	O[3x6]	B[6,6]	B[6,6]	4:4:4:	3:2:2:3:	3:2:2:3:	B[6,6]-4:B[6,6]-4:B[6,6]-4:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	O[3x6]-3:O[6]-2:O[6]-2:O-3:	O[3x6](B[6,6]O[6]2O)3	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OZnH)	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OZnH)	O[3x6](B[6,6]O[6]2O)3{3|B<3>}	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OZnH){1|O<3>,7|O<2>}	B[6,6](O[3x6]B[6,6]2)(O[6]B[6])2(OZnH){1|O<3>,7|O<2>}	117.9030	0.000	1	117.9030	0.000	1	118.0163	0.019	3	118.0163	0.019	3	118.8982	3.466	5	119.2368	3.461	6
194	874	874	6:SP3_SP3_SP3	O[6]	B[6]	B[6]	4:4:1:	3:3:3:2:	3:3:3:2:	B[6]-4:B[6]-4:H-1:	C[6a]-3:C[6a]-3:O[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:O[6]-3:O[6]-2:	O[6](B[6]C[6a]2O[6])2(H)	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6])	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6])	O[6](B[6]C[6a]2O[6])2(H){9|C<3>}	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6]){1|O<2>,4|F<1>,7|C<3>}	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6]){1|O<2>,4|F<1>,7|C<3>}	120.9300	0.000	1	120.9300	0.000	1	120.9300	0.000	1	120.9300	0.000	1	120.9300	0.000	1	119.2368	3.461	6
194	874	951	0:SP3_SP-NON_SP3	O[6]	B[6]	H	4:4:1:	3:3:3:2:	3:	B[6]-4:B[6]-4:H-1:	C[6a]-3:C[6a]-3:O[6]-3:O[6]-2:	O[6]-3:	O[6](B[6]C[6a]2O[6])2(H)	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6])	H(O[6]B[6]2)	O[6](B[6]C[6a]2O[6])2(H){9|C<3>}	B[6](C[6a]C[6a]2)2(O[6]B[6]H)(O[6]C[6]){1|O<2>,4|F<1>,7|C<3>}	H(O[6]B[6]2)	118.8305	10.360	2	118.8305	107.326	2	118.8305	107.326	2	118.8305	107.326	2	118.8305	107.326	2	118.8305	107.326	2
194	943	943	0:SP3_SP-NON_SP-NON	O[6,6]	Ga[6,6]	Ga[6]	4:4:4:	3:3:2:4:	3:3:4:4:	Ga[6,6]-4:Ga[6,6]-4:Ga[6]-4:	O[6,6]-3:N[6,6]-3:N[6]-2:C-4:	O[6,6]-3:N[6]-3:C-4:C-4:	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC)	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3)	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC){1|Ga<4>,5|C<3>}	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3){1|N<2>,2|C<3>,3|N<3>,5|C<4>}	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2{2|C<4>,2|N<2>,2|N<3>,3|C<3>}	125.3180	0.000	1	125.3180	0.000	1	125.3180	0.000	1	125.3180	0.000	1	125.3180	0.000	1	125.3180	0.000	1
194	943	943	6:SP3_SP-NON_SP-NON	O[6,6]	Ga[6,6]	Ga[6,6]	4:4:4:	3:3:2:4:	3:3:2:4:	Ga[6,6]-4:Ga[6,6]-4:Ga[6]-4:	O[6,6]-3:N[6,6]-3:N[6]-2:C-4:	O[6,6]-3:N[6]-3:N[6]-2:C-4:	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC)	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3)	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3)	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC){1|Ga<4>,5|C<3>}	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3){1|N<2>,2|C<3>,3|N<3>,5|C<4>}	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3){1|N<2>,2|N<3>,3|C<4>,4|C<3>}	111.9250	0.000	1	111.9250	0.000	1	111.9250	0.000	1	111.9250	0.000	1	111.9250	0.000	1	115.8820	31.316	2
194	943	943	6:SP3_SP-NON_SP-NON	O[6,6]	Ga[6,6]	Ga[6]	4:4:4:	3:3:2:4:	3:3:4:4:	Ga[6,6]-4:Ga[6,6]-4:Ga[6]-4:	O[6,6]-3:N[6]-3:N[6]-2:C-4:	O[6,6]-3:N[6]-3:C-4:C-4:	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC)	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3)	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC){1|Ga<4>,5|C<3>}	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3){1|N<2>,2|N<3>,3|C<4>,4|C<3>}	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2{2|C<4>,2|N<2>,2|N<3>,3|C<3>}	119.8390	0.000	1	119.8390	0.000	1	119.8390	0.000	1	119.8390	0.000	1	119.8390	0.000	1	115.8820	31.316	2
198	18	18	3:SPD5_SPD6_SPD6	Ga[3,3,5,5,7x6]	B[5x3,3x5,12x6]	B[4x3,5x5,18x6]	6:6:6:4:4:	6:6:6:6:5:1:	6:6:6:5:5:1:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,3x5,12x6]-6:N[6]-4:C-4:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,4x5,12x6]-6:B[5x3,4x5,12x6]-6:Ga[3,3,5,5,7x6]-5:H-1:	B[5x3,3x5,15x6]-6:B[5x3,4x5,12x6]-6:B[5x3,3x5,12x6]-6:C[3x3,4x5,13x6]-5:Ga[3,3,5,5,7x6]-5:H-1:	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3)	B[5x3,3x5,12x6](B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]Ga[3,3,5,5,7x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]Ga[3,3,5,5,7x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]N[6]C)(H)	B[4x3,5x5,18x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(C[3x3,4x5,13x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,14x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6]C)(H)	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3){1|C<4>,2|B<6>,7|H<1>}	B[5x3,3x5,12x6](B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]Ga[3,3,5,5,7x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]Ga[3,3,5,5,7x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]N[6]C)(H){1|B<6>,4|C<4>,4|H<1>}	B[4x3,5x5,18x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(C[3x3,4x5,13x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,14x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6]C)(H){1|B<6>,4|C<4>,4|H<1>}	48.8277	0.000	1	48.8277	0.000	1	48.8277	0.000	1	48.8277	0.000	1	48.8277	0.000	1	48.1460	0.929	2
198	18	18	3:SPD5_SPD6_SPD6	Ga[3,3,5,5,7x6]	B[5x3,3x5,12x6]	B[4x3,5x5,19x6]	6:6:6:4:4:	6:6:6:6:5:1:	6:6:5:6:5:1:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,3x5,12x6]-6:N[6]-4:C-4:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,4x5,12x6]-6:B[5x3,4x5,12x6]-6:Ga[3,3,5,5,7x6]-5:H-1:	B[5x3,3x5,15x6]-6:B[5x3,4x5,12x6]-6:C[3x3,4x5,14x6]-5:B[5x3,3x5,12x6]-6:Ga[3,3,5,5,7x6]-5:H-1:	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3)	B[5x3,3x5,12x6](B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]Ga[3,3,5,5,7x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]Ga[3,3,5,5,7x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]N[6]C)(H)	B[4x3,5x5,19x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,4x5,14x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6]C[6])(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[5x3,3x5,12x6]N[6]C)(H)	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3){1|C<4>,2|B<6>,7|H<1>}	B[5x3,3x5,12x6](B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]Ga[3,3,5,5,7x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]Ga[3,3,5,5,7x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]N[6]C)(H){1|B<6>,4|C<4>,4|H<1>}	B[4x3,5x5,19x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,4x5,14x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6]C[6])(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[5x3,3x5,12x6]N[6]C)(H){1|B<6>,3|C<4>,7|H<1>}	47.4643	0.000	1	47.4643	0.000	1	47.4643	0.000	1	47.4643	0.000	1	47.4643	0.000	1	48.1460	0.929	2
198	18	18	6:SPD5_SPD6_SPD6	Ga[3,3,5,5,7x6]	B[4x3,5x5,19x6]	B[4x3,5x5,18x6]	6:6:6:4:4:	6:6:5:6:5:1:	6:6:6:5:5:1:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,3x5,12x6]-6:N[6]-4:C-4:	B[5x3,3x5,15x6]-6:B[5x3,4x5,12x6]-6:C[3x3,4x5,14x6]-5:B[5x3,3x5,12x6]-6:Ga[3,3,5,5,7x6]-5:H-1:	B[5x3,3x5,15x6]-6:B[5x3,4x5,12x6]-6:B[5x3,3x5,12x6]-6:C[3x3,4x5,13x6]-5:Ga[3,3,5,5,7x6]-5:H-1:	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3)	B[4x3,5x5,19x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,4x5,14x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6]C[6])(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[5x3,3x5,12x6]N[6]C)(H)	B[4x3,5x5,18x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(C[3x3,4x5,13x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,14x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6]C)(H)	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3){1|C<4>,2|B<6>,7|H<1>}	B[4x3,5x5,19x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,4x5,14x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6]C[6])(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[5x3,3x5,12x6]N[6]C)(H){1|B<6>,3|C<4>,7|H<1>}	B[4x3,5x5,18x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(C[3x3,4x5,13x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,14x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6]C)(H){1|B<6>,4|C<4>,4|H<1>}	76.2136	0.000	1	76.2136	0.000	1	76.2136	0.000	1	76.2136	0.000	1	76.2136	0.000	1	76.2136	0.000	1
198	18	490	0:SPD5_SP3_SPD6	Ga[3,3,5,5,7x6]	B[4x3,5x5,18x6]	C	6:6:6:4:4:	6:6:6:5:5:1:	5:1:1:1:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,3x5,12x6]-6:N[6]-4:C-4:	B[5x3,3x5,15x6]-6:B[5x3,4x5,12x6]-6:B[5x3,3x5,12x6]-6:C[3x3,4x5,13x6]-5:Ga[3,3,5,5,7x6]-5:H-1:	Ga[3,3,5,5,7x6]-5:H-1:H-1:H-1:	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3)	B[4x3,5x5,18x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(C[3x3,4x5,13x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,14x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6]C)(H)	C(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6])(H)3	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3){1|C<4>,2|B<6>,7|H<1>}	B[4x3,5x5,18x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(C[3x3,4x5,13x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,14x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6]C)(H){1|B<6>,4|C<4>,4|H<1>}	C(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6])(H)3	119.7990	0.000	1	119.7990	0.000	1	119.7990	0.000	1	119.7990	0.000	1	119.7990	0.000	1	122.5237	182.644	3
198	18	490	0:SPD5_SP3_SPD6	Ga[3,3,5,5,7x6]	B[4x3,5x5,19x6]	C	6:6:6:4:4:	6:6:5:6:5:1:	5:1:1:1:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,3x5,12x6]-6:N[6]-4:C-4:	B[5x3,3x5,15x6]-6:B[5x3,4x5,12x6]-6:C[3x3,4x5,14x6]-5:B[5x3,3x5,12x6]-6:Ga[3,3,5,5,7x6]-5:H-1:	Ga[3,3,5,5,7x6]-5:H-1:H-1:H-1:	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3)	B[4x3,5x5,19x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,4x5,14x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6]C[6])(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[5x3,3x5,12x6]N[6]C)(H)	C(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6])(H)3	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3){1|C<4>,2|B<6>,7|H<1>}	B[4x3,5x5,19x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,4x5,14x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6]C[6])(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[5x3,3x5,12x6]N[6]C)(H){1|B<6>,3|C<4>,7|H<1>}	C(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6])(H)3	137.1930	0.000	1	137.1930	0.000	1	137.1930	0.000	1	137.1930	0.000	1	137.1930	0.000	1	122.5237	182.644	3
198	18	490	0:SPD5_SP3_SPD6	Ga[3,3,5,5,7x6]	B[5x3,3x5,12x6]	C	6:6:6:4:4:	6:6:6:6:5:1:	5:1:1:1:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,3x5,12x6]-6:N[6]-4:C-4:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,4x5,12x6]-6:B[5x3,4x5,12x6]-6:Ga[3,3,5,5,7x6]-5:H-1:	Ga[3,3,5,5,7x6]-5:H-1:H-1:H-1:	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3)	B[5x3,3x5,12x6](B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]Ga[3,3,5,5,7x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]Ga[3,3,5,5,7x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]N[6]C)(H)	C(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6])(H)3	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3){1|C<4>,2|B<6>,7|H<1>}	B[5x3,3x5,12x6](B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]Ga[3,3,5,5,7x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]Ga[3,3,5,5,7x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]N[6]C)(H){1|B<6>,4|C<4>,4|H<1>}	C(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6])(H)3	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	122.5237	182.644	3
198	18	854	0:SPD5_SP3_SPD6	Ga[3,3,5,5,7x6]	B[4x3,5x5,18x6]	N[6]	6:6:6:4:4:	6:6:6:5:5:1:	5:4:4:4:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,3x5,12x6]-6:N[6]-4:C-4:	B[5x3,3x5,15x6]-6:B[5x3,4x5,12x6]-6:B[5x3,3x5,12x6]-6:C[3x3,4x5,13x6]-5:Ga[3,3,5,5,7x6]-5:H-1:	Ga[3,3,5,5,7x6]-5:C[6]-4:C-4:C-4:	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3)	B[4x3,5x5,18x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(C[3x3,4x5,13x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,14x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6]C)(H)	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3){1|C<4>,2|B<6>,7|H<1>}	B[4x3,5x5,18x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(C[3x3,4x5,13x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,14x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6]C)(H){1|B<6>,4|C<4>,4|H<1>}	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2{2|C<5>,4|B<6>,5|H<1>}	123.4450	0.000	1	123.4450	0.000	1	123.4450	0.000	1	123.4450	0.000	1	123.4450	0.000	1	133.2075	190.613	2
198	18	854	0:SPD5_SP3_SPD6	Ga[3,3,5,5,7x6]	B[5x3,3x5,12x6]	N[6]	6:6:6:4:4:	6:6:6:6:5:1:	5:4:4:4:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,3x5,12x6]-6:N[6]-4:C-4:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,4x5,12x6]-6:B[5x3,4x5,12x6]-6:Ga[3,3,5,5,7x6]-5:H-1:	Ga[3,3,5,5,7x6]-5:C[6]-4:C-4:C-4:	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3)	B[5x3,3x5,12x6](B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]Ga[3,3,5,5,7x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]Ga[3,3,5,5,7x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]N[6]C)(H)	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3){1|C<4>,2|B<6>,7|H<1>}	B[5x3,3x5,12x6](B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]Ga[3,3,5,5,7x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]Ga[3,3,5,5,7x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,18x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[4x3,5x5,19x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]N[6]C)(H){1|B<6>,4|C<4>,4|H<1>}	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2{2|C<5>,4|B<6>,5|H<1>}	142.9700	0.000	1	142.9700	0.000	1	142.9700	0.000	1	142.9700	0.000	1	142.9700	0.000	1	133.2075	190.613	2
198	18	854	6:SPD5_SP3_SPD6	Ga[3,3,5,5,7x6]	B[4x3,5x5,19x6]	N[6]	6:6:6:4:4:	6:6:5:6:5:1:	5:4:4:4:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,3x5,12x6]-6:N[6]-4:C-4:	B[5x3,3x5,15x6]-6:B[5x3,4x5,12x6]-6:C[3x3,4x5,14x6]-5:B[5x3,3x5,12x6]-6:Ga[3,3,5,5,7x6]-5:H-1:	Ga[3,3,5,5,7x6]-5:C[6]-4:C-4:C-4:	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3)	B[4x3,5x5,19x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,4x5,14x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6]C[6])(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[5x3,3x5,12x6]N[6]C)(H)	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3){1|C<4>,2|B<6>,7|H<1>}	B[4x3,5x5,19x6](B[5x3,3x5,15x6]B[5x3,3x5,14x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]B[5x3,5x5,8x6]H)(B[5x3,4x5,12x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]B[5x3,5x5,8x6]H)(C[3x3,4x5,14x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6]C[6])(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[5x3,4x5,12x6]2Ga[3,3,5,5,7x6]H)(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[5x3,3x5,12x6]N[6]C)(H){1|B<6>,3|C<4>,7|H<1>}	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2{2|C<5>,4|B<6>,5|H<1>}	96.8487	0.000	1	96.8487	0.000	1	96.8487	0.000	1	96.8487	0.000	1	96.8487	0.000	1	96.8487	0.000	1
198	138	138	0:SPD5_SP3_SP3	Ga[3,3,5]	N[3]	N[3]	5:3:3:3:3:	5:5:4:	5:5:4:	Ga[3,3,5]-5:N[3]-3:N[3]-3:N[5]-3:N[5]-3:	Ga[3,3,5]-5:Ga[3,3,5]-5:Si-4:	Ga[3,3,5]-5:Ga[3,3,5]-5:Si-4:	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2	N[3](Ga[3,3,5]Ga[3,3,5]N[3]N[5]2)2(SiC3)	N[3](Ga[3,3,5]Ga[3,3,5]N[3]N[5]2)2(SiC3)	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	N[3](Ga[3,3,5]Ga[3,3,5]N[3]N[5]2)2(SiC3){1|Si<4>,8|C<3>}	N[3](Ga[3,3,5]Ga[3,3,5]N[3]N[5]2)2(SiC3){1|Si<4>,8|C<3>}	90.4989	0.000	1	90.4989	0.000	1	90.4989	0.000	1	90.4989	0.000	1	90.4989	0.000	1	90.4989	0.000	1
198	138	198	3:SPD5_SP3_SPD5	Ga[3,3,5]	N[3]	Ga[3,3,5]	5:3:3:3:3:	5:5:4:	5:3:3:3:3:	Ga[3,3,5]-5:N[3]-3:N[3]-3:N[5]-3:N[5]-3:	Ga[3,3,5]-5:Ga[3,3,5]-5:Si-4:	Ga[3,3,5]-5:N[3]-3:N[3]-3:N[5]-3:N[5]-3:	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2	N[3](Ga[3,3,5]Ga[3,3,5]N[3]N[5]2)2(SiC3)	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	N[3](Ga[3,3,5]Ga[3,3,5]N[3]N[5]2)2(SiC3){1|Si<4>,8|C<3>}	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	45.2751	0.438	4	45.2751	0.192	4	45.2751	0.192	4	45.2751	0.192	4	45.2751	0.192	4	45.2751	0.192	4
198	138	234	0:SPD5_SP2_SP3	Ga[3,3,4]	N[3]	N[3,4]	4:4:4:3:1:	5:4:4:	5:4:4:4:	B[3,3]-4:N[3,4]-4:N[4]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:B[3,3]-4:C-4:	Ga[3,3,4]-5:B[3,3]-4:Ga[4]-4:C-4:	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl)	N[3](Ga[3,3,4]B[3,3]N[3,4]N[4]Cl)(B[3,3]Ga[3,3,4]N[3,4]C[6a])(CC3)	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3)	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl){2|Cl<1>,2|C<3>}	N[3](Ga[3,3,4]B[3,3]N[3,4]N[4]Cl)(B[3,3]Ga[3,3,4]N[3,4]C[6a])(CC3){1|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3){1|H<1>,2|C<3>,2|C<4>}	74.4907	0.000	1	74.4907	0.000	1	74.4907	0.000	1	74.4907	0.000	1	74.4907	0.000	1	74.4907	0.000	1
198	138	234	0:SPD5_SP3_SP3	Ga[3,3,4]	N[3]	N[3,4]	4:4:4:3:1:	4:5:4:	5:5:4:4:	N[3,4]-4:N[3,4]-4:B[3,3]-4:N[3]-3:Cl-1:	B[3,3]-4:Ga[3,3,4]-5:C-4:	Ga[3,3,4]-5:Ga[3,3,4]-5:B[3,3]-4:C-4:	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl)	N[3](B[3,3]Ga[3,3,4]N[3,4]C[6a])(Ga[3,3,4]B[3,3]N[3,4]2Cl)(CC3)	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3)	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl){1|Cl<1>,1|N<3>,3|C<3>}	N[3](B[3,3]Ga[3,3,4]N[3,4]C[6a])(Ga[3,3,4]B[3,3]N[3,4]2Cl)(CC3){1|Ga<5>,1|B<4>,2|C<3>,2|C<4>}	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3){3|C<3>,3|C<4>}	96.4200	31.547	2	96.4200	995.209	2	96.4200	995.209	2	96.4200	995.209	2	96.4200	995.209	2	96.4200	995.209	2
198	138	542	0:SPD5_SP2_SP3	Ga[3,3,5]	N[3]	N[5]	5:3:3:3:3:	5:5:4:	5:3:3:	Ga[3,3,5]-5:N[3]-3:N[3]-3:N[5]-3:N[5]-3:	Ga[3,3,5]-5:Ga[3,3,5]-5:Si-4:	Ga[3,3,5]-5:C[6a]-3:C[5]-3:	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2	N[3](Ga[3,3,5]Ga[3,3,5]N[3]N[5]2)2(SiC3)	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	N[3](Ga[3,3,5]Ga[3,3,5]N[3]N[5]2)2(SiC3){1|Si<4>,8|C<3>}	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|Si<4>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	121.5704	5.435	8	121.5704	29.538	8	121.5704	29.538	8	121.5704	29.538	8	121.5704	29.538	8	121.5704	29.538	8
198	138	654	3:SPD5_SP2_SP3	Ga[3,3,4]	N[3]	B[3,3]	4:4:4:3:1:	5:4:4:	5:4:3:3:	B[3,3]-4:N[3,4]-4:N[4]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:B[3,3]-4:C-4:	Ga[3,3,4]-5:N[3,4]-4:N[3]-3:C[6a]-3:	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl)	N[3](Ga[3,3,4]B[3,3]N[3,4]N[4]Cl)(B[3,3]Ga[3,3,4]N[3,4]C[6a])(CC3)	B[3,3](Ga[3,3,4]N[3,4]N[3]N[4]Cl)(N[3,4]Ga[3,3,4]Ga[4]C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2)	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl){2|Cl<1>,2|C<3>}	N[3](Ga[3,3,4]B[3,3]N[3,4]N[4]Cl)(B[3,3]Ga[3,3,4]N[3,4]C[6a])(CC3){1|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	B[3,3](Ga[3,3,4]N[3,4]N[3]N[4]Cl)(N[3,4]Ga[3,3,4]Ga[4]C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	34.8667	0.000	1	34.8667	0.000	1	34.8667	0.000	1	34.8667	0.000	1	34.8667	0.000	1	34.8667	0.000	1
198	138	654	3:SPD5_SP3_SP3	Ga[3,3,4]	N[3]	B[3,3]	4:4:4:3:1:	4:5:4:	5:4:3:3:	N[3,4]-4:N[3,4]-4:B[3,3]-4:N[3]-3:Cl-1:	B[3,3]-4:Ga[3,3,4]-5:C-4:	Ga[3,3,4]-5:N[3,4]-4:N[3]-3:C[6a]-3:	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl)	N[3](B[3,3]Ga[3,3,4]N[3,4]C[6a])(Ga[3,3,4]B[3,3]N[3,4]2Cl)(CC3)	B[3,3](Ga[3,3,4]N[3,4]2N[3]Cl)(N[3,4]Ga[3,3,4]2C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2)	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl){1|Cl<1>,1|N<3>,3|C<3>}	N[3](B[3,3]Ga[3,3,4]N[3,4]C[6a])(Ga[3,3,4]B[3,3]N[3,4]2Cl)(CC3){1|Ga<5>,1|B<4>,2|C<3>,2|C<4>}	B[3,3](Ga[3,3,4]N[3,4]2N[3]Cl)(N[3,4]Ga[3,3,4]2C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	34.8581	0.000	1	34.8581	0.000	1	34.8581	0.000	1	34.8581	0.000	1	34.8581	0.000	1	34.8581	0.000	1
198	138	790	0:SPD5_SP-NON_SP2	Ga[3,3,4]	N[3]	Cl	4:4:4:3:1:	5:4:4:	5:	B[3,3]-4:N[3,4]-4:N[4]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:B[3,3]-4:C-4:	Ga[3,3,4]-5:	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl)	N[3](Ga[3,3,4]B[3,3]N[3,4]N[4]Cl)(B[3,3]Ga[3,3,4]N[3,4]C[6a])(CC3)	Cl(Ga[3,3,4]B[3,3]N[3,4]N[3]N[4])	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl){2|Cl<1>,2|C<3>}	N[3](Ga[3,3,4]B[3,3]N[3,4]N[4]Cl)(B[3,3]Ga[3,3,4]N[3,4]C[6a])(CC3){1|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	Cl(Ga[3,3,4]B[3,3]N[3,4]N[3]N[4])	124.8070	0.000	1	124.8070	0.000	1	124.8070	0.000	1	124.8070	0.000	1	124.8070	0.000	1	124.8070	0.000	1
198	138	790	0:SPD5_SP-NON_SP3	Ga[3,3,4]	N[3]	Cl	4:4:4:3:1:	4:5:4:	5:	N[3,4]-4:N[3,4]-4:B[3,3]-4:N[3]-3:Cl-1:	B[3,3]-4:Ga[3,3,4]-5:C-4:	Ga[3,3,4]-5:	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl)	N[3](B[3,3]Ga[3,3,4]N[3,4]C[6a])(Ga[3,3,4]B[3,3]N[3,4]2Cl)(CC3)	Cl(Ga[3,3,4]B[3,3]N[3,4]2N[3])	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl){1|Cl<1>,1|N<3>,3|C<3>}	N[3](B[3,3]Ga[3,3,4]N[3,4]C[6a])(Ga[3,3,4]B[3,3]N[3,4]2Cl)(CC3){1|Ga<5>,1|B<4>,2|C<3>,2|C<4>}	Cl(Ga[3,3,4]B[3,3]N[3,4]2N[3])	118.9910	0.000	1	118.9910	0.000	1	118.9910	0.000	1	118.9910	0.000	1	118.9910	0.000	1	118.9910	0.000	1
198	138	980	0:SPD5_SP2_SP3	Ga[3,3,4]	N[3]	N[4]	4:4:4:3:1:	5:4:4:	5:4:4:1:	B[3,3]-4:N[3,4]-4:N[4]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:B[3,3]-4:C-4:	Ga[3,3,4]-5:Ga[4]-4:C-4:H-1:	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl)	N[3](Ga[3,3,4]B[3,3]N[3,4]N[4]Cl)(B[3,3]Ga[3,3,4]N[3,4]C[6a])(CC3)	N[4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)(Ga[4]N[3,4]Cl2)(CC3)(H)	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl){2|Cl<1>,2|C<3>}	N[3](Ga[3,3,4]B[3,3]N[3,4]N[4]Cl)(B[3,3]Ga[3,3,4]N[3,4]C[6a])(CC3){1|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	N[4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)(Ga[4]N[3,4]Cl2)(CC3)(H){1|C<3>,2|C<4>}	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1
198	198	542	0:SPD5_SP2_SPD5	Ga[3,3,5]	Ga[3,3,5]	N[5]	5:3:3:3:3:	5:3:3:3:3:	5:3:3:	Ga[3,3,5]-5:N[3]-3:N[3]-3:N[5]-3:N[5]-3:	Ga[3,3,5]-5:N[3]-3:N[3]-3:N[5]-3:N[5]-3:	Ga[3,3,5]-5:C[6a]-3:C[5]-3:	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|Si<4>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	137.8665	5.456	4	137.8665	29.768	4	137.8665	29.768	4	137.8665	29.768	4	137.8665	29.768	4	137.8665	29.768	4
198	198	856	6:SPD5_SP2_SPD5	Ga[3,3,6]	Ga[3,3,6]	N[6]	5:3:3:2:2:	5:3:3:2:2:	5:3:3:	Ga[3,3,6]-5:N[6]-3:N[6]-3:O[3]-2:O[3]-2:	Ga[3,3,6]-5:N[6]-3:N[6]-3:O[3]-2:O[3]-2:	Ga[3,3,6]-5:C[6a]-3:C[6]-3:	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2{2|C<4>,9|C<3>}	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2{2|C<4>,9|C<3>}	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	132.5215	5.006	2	132.5215	25.056	2	132.5215	25.056	2	132.5215	25.056	2	132.5215	25.056	2	132.5215	25.056	2
198	198	962	3:SPD5_SP3_SPD5	Ga[3,3,6]	Ga[3,3,6]	O[3]	5:3:3:2:2:	5:3:3:2:2:	5:5:	Ga[3,3,6]-5:N[6]-3:N[6]-3:O[3]-2:O[3]-2:	Ga[3,3,6]-5:N[6]-3:N[6]-3:O[3]-2:O[3]-2:	Ga[3,3,6]-5:Ga[3,3,6]-5:	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2	O[3](Ga[3,3,6]Ga[3,3,6]N[6]2O[3])2	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2{2|C<4>,9|C<3>}	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2{2|C<4>,9|C<3>}	O[3](Ga[3,3,6]Ga[3,3,6]N[6]2O[3])2{8|C<3>}	45.4116	0.114	2	45.4116	0.013	2	45.4116	0.013	2	45.4116	0.013	2	45.4116	0.013	2	45.4116	0.013	2
198	234	234	3:SPD5_SP3_SP3	Ga[3,3,4]	N[3,4]	N[3,4]	4:4:4:3:1:	5:5:4:4:	5:5:4:4:	N[3,4]-4:N[3,4]-4:B[3,3]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:Ga[3,3,4]-5:B[3,3]-4:C-4:	Ga[3,3,4]-5:Ga[3,3,4]-5:B[3,3]-4:C-4:	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl)	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3)	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3)	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl){1|Cl<1>,1|N<3>,3|C<3>}	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3){3|C<3>,3|C<4>}	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3){3|C<3>,3|C<4>}	89.9179	0.000	1	89.9179	0.000	1	89.9179	0.000	1	89.9179	0.000	1	89.9179	0.000	1	89.9179	0.000	1
198	234	654	3:SPD5_SP3_SP3	Ga[3,3,4]	N[3,4]	B[3,3]	4:4:4:3:1:	5:4:4:4:	5:4:3:3:	B[3,3]-4:N[3,4]-4:N[4]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:B[3,3]-4:Ga[4]-4:C-4:	Ga[3,3,4]-5:N[3,4]-4:N[3]-3:C[6a]-3:	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl)	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3)	B[3,3](Ga[3,3,4]N[3,4]N[3]N[4]Cl)(N[3,4]Ga[3,3,4]Ga[4]C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2)	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl){2|Cl<1>,2|C<3>}	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3){1|H<1>,2|C<3>,2|C<4>}	B[3,3](Ga[3,3,4]N[3,4]N[3]N[4]Cl)(N[3,4]Ga[3,3,4]Ga[4]C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	39.7156	0.000	1	39.7156	0.000	1	39.7156	0.000	1	39.7156	0.000	1	61.8092	1487.140	3	61.8092	1487.140	3
198	234	654	3:SPD5_SP3_SP3	Ga[3,3,4]	N[3,4]	B[3,3]	4:4:4:3:1:	5:5:4:4:	5:4:3:3:	N[3,4]-4:N[3,4]-4:B[3,3]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:Ga[3,3,4]-5:B[3,3]-4:C-4:	Ga[3,3,4]-5:N[3,4]-4:N[3]-3:C[6a]-3:	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl)	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3)	B[3,3](Ga[3,3,4]N[3,4]2N[3]Cl)(N[3,4]Ga[3,3,4]2C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2)	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl){1|Cl<1>,1|N<3>,3|C<3>}	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3){3|C<3>,3|C<4>}	B[3,3](Ga[3,3,4]N[3,4]2N[3]Cl)(N[3,4]Ga[3,3,4]2C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	72.8560	47.351	2	72.8560	2242.089	2	72.8560	2242.089	2	72.8560	2242.089	2	61.8092	1487.140	3	61.8092	1487.140	3
198	234	790	0:SPD5_SP-NON_SP3	Ga[3,3,4]	N[3,4]	Cl	4:4:4:3:1:	5:4:4:4:	5:	B[3,3]-4:N[3,4]-4:N[4]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:B[3,3]-4:Ga[4]-4:C-4:	Ga[3,3,4]-5:	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl)	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3)	Cl(Ga[3,3,4]B[3,3]N[3,4]N[3]N[4])	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl){2|Cl<1>,2|C<3>}	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3){1|H<1>,2|C<3>,2|C<4>}	Cl(Ga[3,3,4]B[3,3]N[3,4]N[3]N[4])	127.1240	0.000	1	127.1240	0.000	1	127.1240	0.000	1	127.1240	0.000	1	123.7663	26.091	3	123.7663	26.091	3
198	234	790	0:SPD5_SP-NON_SP3	Ga[3,3,4]	N[3,4]	Cl	4:4:4:3:1:	5:5:4:4:	5:	N[3,4]-4:N[3,4]-4:B[3,3]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:Ga[3,3,4]-5:B[3,3]-4:C-4:	Ga[3,3,4]-5:	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl)	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3)	Cl(Ga[3,3,4]B[3,3]N[3,4]2N[3])	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl){1|Cl<1>,1|N<3>,3|C<3>}	N[3,4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)2(B[3,3]Ga[3,3,4]C[6a]N[3])(CC3){3|C<3>,3|C<4>}	Cl(Ga[3,3,4]B[3,3]N[3,4]2N[3])	122.0875	5.939	2	122.0875	35.272	2	122.0875	35.272	2	122.0875	35.272	2	123.7663	26.091	3	123.7663	26.091	3
198	234	980	4:SPD5_SP3_SP3	Ga[3,3,4]	N[3,4]	N[4]	4:4:4:3:1:	5:4:4:4:	5:4:4:1:	B[3,3]-4:N[3,4]-4:N[4]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:B[3,3]-4:Ga[4]-4:C-4:	Ga[3,3,4]-5:Ga[4]-4:C-4:H-1:	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl)	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3)	N[4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)(Ga[4]N[3,4]Cl2)(CC3)(H)	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl){2|Cl<1>,2|C<3>}	N[3,4](Ga[3,3,4]B[3,3]N[3]N[4]Cl)(B[3,3]Ga[3,3,4]C[6a]N[3])(Ga[4]N[4]Cl2)(CC3){1|H<1>,2|C<3>,2|C<4>}	N[4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)(Ga[4]N[3,4]Cl2)(CC3)(H){1|C<3>,2|C<4>}	89.7776	0.000	1	89.7776	0.000	1	89.7776	0.000	1	89.7776	0.000	1	89.7776	0.000	1	89.7776	0.000	1
198	490	854	0:SPD5_SP3_SP3	Ga[3,3,5,5,7x6]	C	N[6]	6:6:6:4:4:	5:1:1:1:	5:4:4:4:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,3x5,12x6]-6:N[6]-4:C-4:	Ga[3,3,5,5,7x6]-5:H-1:H-1:H-1:	Ga[3,3,5,5,7x6]-5:C[6]-4:C-4:C-4:	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3)	C(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6])(H)3	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3){1|C<4>,2|B<6>,7|H<1>}	C(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6])(H)3	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2{2|C<5>,4|B<6>,5|H<1>}	103.2270	0.000	1	103.2270	0.000	1	103.2270	0.000	1	103.2270	0.000	1	103.2270	0.000	1	103.2270	0.000	1
198	542	542	5:SPD5_SP2_SP2	Ga[3,3,5]	N[5]	N[5]	5:3:3:3:3:	5:3:3:	5:3:3:	Ga[3,3,5]-5:N[3]-3:N[3]-3:N[5]-3:N[5]-3:	Ga[3,3,5]-5:C[6a]-3:C[5]-3:	Ga[3,3,5]-5:C[6a]-3:C[5]-3:	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H)	Ga[3,3,5](Ga[3,3,5]N[3]2N[5]2)(N[3]Ga[3,3,5]Si)2(N[5]C[6a]C[5])2{2|H<1>,8|C<3>}	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|Si<4>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	N[5](Ga[3,3,5]Ga[3,3,5]N[3]2N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|Si<4>,1|H<1>,2|C<4>,2|N<3>,3|C<3>}	83.5615	0.082	2	83.5615	0.007	2	83.5615	0.007	2	83.5615	0.007	2	83.5615	0.007	2	83.5615	0.007	2
198	654	790	0:SPD5_SP-NON_SP3	Ga[3,3,4]	B[3,3]	Cl	4:4:4:3:1:	5:4:3:3:	5:	B[3,3]-4:N[3,4]-4:N[4]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:N[3,4]-4:N[3]-3:C[6a]-3:	Ga[3,3,4]-5:	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl)	B[3,3](Ga[3,3,4]N[3,4]N[3]N[4]Cl)(N[3,4]Ga[3,3,4]Ga[4]C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2)	Cl(Ga[3,3,4]B[3,3]N[3,4]N[3]N[4])	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl){2|Cl<1>,2|C<3>}	B[3,3](Ga[3,3,4]N[3,4]N[3]N[4]Cl)(N[3,4]Ga[3,3,4]Ga[4]C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	Cl(Ga[3,3,4]B[3,3]N[3,4]N[3]N[4])	135.3900	0.000	1	135.3900	0.000	1	135.3900	0.000	1	134.8640	0.553	2	134.8640	0.553	2	134.8640	0.553	2
198	654	790	0:SPD5_SP-NON_SP3	Ga[3,3,4]	B[3,3]	Cl	4:4:4:3:1:	5:4:3:3:	5:	N[3,4]-4:N[3,4]-4:B[3,3]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:N[3,4]-4:N[3]-3:C[6a]-3:	Ga[3,3,4]-5:	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl)	B[3,3](Ga[3,3,4]N[3,4]2N[3]Cl)(N[3,4]Ga[3,3,4]2C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2)	Cl(Ga[3,3,4]B[3,3]N[3,4]2N[3])	Ga[3,3,4](N[3,4]Ga[3,3,4]B[3,3]C)2(B[3,3]N[3,4]C[6a]N[3])(N[3]B[3,3]C)(Cl){1|Cl<1>,1|N<3>,3|C<3>}	B[3,3](Ga[3,3,4]N[3,4]2N[3]Cl)(N[3,4]Ga[3,3,4]2C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Cl(Ga[3,3,4]B[3,3]N[3,4]2N[3])	134.3380	0.000	1	134.3380	0.000	1	134.3380	0.000	1	134.8640	0.553	2	134.8640	0.553	2	134.8640	0.553	2
198	654	980	0:SPD5_SP3_SP3	Ga[3,3,4]	B[3,3]	N[4]	4:4:4:3:1:	5:4:3:3:	5:4:4:1:	B[3,3]-4:N[3,4]-4:N[4]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:N[3,4]-4:N[3]-3:C[6a]-3:	Ga[3,3,4]-5:Ga[4]-4:C-4:H-1:	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl)	B[3,3](Ga[3,3,4]N[3,4]N[3]N[4]Cl)(N[3,4]Ga[3,3,4]Ga[4]C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2)	N[4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)(Ga[4]N[3,4]Cl2)(CC3)(H)	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl){2|Cl<1>,2|C<3>}	B[3,3](Ga[3,3,4]N[3,4]N[3]N[4]Cl)(N[3,4]Ga[3,3,4]Ga[4]C)(N[3]Ga[3,3,4]C)(C[6a]C[6a]2){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	N[4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)(Ga[4]N[3,4]Cl2)(CC3)(H){1|C<3>,2|C<4>}	103.8770	0.000	1	103.8770	0.000	1	103.8770	0.000	1	103.8770	0.000	1	103.8770	0.000	1	103.8770	0.000	1
198	790	980	0:SPD5_SP-NON_SP3	Ga[3,3,4]	Cl	N[4]	4:4:4:3:1:	5:	5:4:4:1:	B[3,3]-4:N[3,4]-4:N[4]-4:N[3]-3:Cl-1:	Ga[3,3,4]-5:	Ga[3,3,4]-5:Ga[4]-4:C-4:H-1:	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl)	Cl(Ga[3,3,4]B[3,3]N[3,4]N[3]N[4])	N[4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)(Ga[4]N[3,4]Cl2)(CC3)(H)	Ga[3,3,4](B[3,3]N[3,4]C[6a]N[3])(N[3,4]B[3,3]Ga[4]C)(N[4]Ga[4]CH)(N[3]B[3,3]C)(Cl){2|Cl<1>,2|C<3>}	Cl(Ga[3,3,4]B[3,3]N[3,4]N[3]N[4])	N[4](Ga[3,3,4]B[3,3]N[3,4]N[3]Cl)(Ga[4]N[3,4]Cl2)(CC3)(H){1|C<3>,2|C<4>}	119.9720	0.000	1	119.9720	0.000	1	119.9720	0.000	1	119.9720	0.000	1	119.9720	0.000	1	119.9720	0.000	1
198	856	856	6:SPD5_SP2_SP2	Ga[3,3,6]	N[6]	N[6]	5:3:3:2:2:	5:3:3:	5:3:3:	Ga[3,3,6]-5:N[6]-3:N[6]-3:O[3]-2:O[3]-2:	Ga[3,3,6]-5:C[6a]-3:C[6]-3:	Ga[3,3,6]-5:C[6a]-3:C[6]-3:	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2{2|C<4>,9|C<3>}	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	94.9558	0.000	1	94.9558	0.000	1	94.9558	0.000	1	94.9558	0.000	1	94.9558	0.000	1	94.9558	0.000	1
198	856	962	0:SPD5_SP2_SP3	Ga[3,3,6]	N[6]	O[3]	5:3:3:2:2:	5:3:3:	5:5:	Ga[3,3,6]-5:N[6]-3:N[6]-3:O[3]-2:O[3]-2:	Ga[3,3,6]-5:C[6a]-3:C[6]-3:	Ga[3,3,6]-5:Ga[3,3,6]-5:	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	O[3](Ga[3,3,6]Ga[3,3,6]N[6]2O[3])2	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2{2|C<4>,9|C<3>}	N[6](Ga[3,3,6]Ga[3,3,6]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	O[3](Ga[3,3,6]Ga[3,3,6]N[6]2O[3])2{8|C<3>}	118.2885	2.555	4	118.2885	6.528	4	118.2885	6.528	4	118.2885	6.528	4	118.2885	6.528	4	118.2885	6.528	4
198	962	962	3:SPD5_SP3_SP3	Ga[3,3,6]	O[3]	O[3]	5:3:3:2:2:	5:5:	5:5:	Ga[3,3,6]-5:N[6]-3:N[6]-3:O[3]-2:O[3]-2:	Ga[3,3,6]-5:Ga[3,3,6]-5:	Ga[3,3,6]-5:Ga[3,3,6]-5:	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2	O[3](Ga[3,3,6]Ga[3,3,6]N[6]2O[3])2	O[3](Ga[3,3,6]Ga[3,3,6]N[6]2O[3])2	Ga[3,3,6](Ga[3,3,6]N[6]2O[3]2)(N[6]C[6a]C[6])2(O[3]Ga[3,3,6])2{2|C<4>,9|C<3>}	O[3](Ga[3,3,6]Ga[3,3,6]N[6]2O[3])2{8|C<3>}	O[3](Ga[3,3,6]Ga[3,3,6]N[6]2O[3])2{8|C<3>}	90.8232	0.000	1	90.8232	0.000	1	90.8232	0.000	1	90.8232	0.000	1	90.8232	0.000	1	90.8232	0.000	1
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])2{1|N<2>}	C[6](C[6]C[6])(C[6]N[6]){1|C<2>}	C[6](C[6]C[6])(C[6]N[6]){1|C<2>}	118.5632	4.451	18	118.2987	18.519	21	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])2{1|N<3>}	C[6](C[6]C[6])(C[6]N[6]){1|Pd<4>,1|C<2>}	C[6](C[6]C[6])(C[6]N[6]){1|Pd<4>,1|C<2>}	118.2140	0.000	1	118.2987	18.519	21	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])2{1|N<3>}	C[6](C[6]C[6])(C[6]N[6]){1|Pt<4>,1|C<2>}	C[6](C[6]C[6])(C[6]N[6]){1|Pt<4>,1|C<2>}	112.6920	0.000	1	118.2987	18.519	21	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])2{1|N<3>}	C[6](C[6]C[6])(C[6]N[6]){1|Sr<6>,1|C<2>}	C[6](C[6]C[6])(C[6]N[6]){1|Sr<6>,1|C<2>}	119.2300	0.000	1	118.2987	18.519	21	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>}	C[6](C[6]C[6])2{1|C<2>}	C[6](C[6]C[6])2{1|C<2>}	119.8143	5.366	202	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|B<4>,1|C<2>}	C[6](C[6]C[6])2{1|B<4>,1|C<2>}	119.0593	1.282	29	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|C<1>,1|C<2>}	C[6](C[6]C[6])2{1|C<1>,1|C<2>}	121.9084	10.305	5	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	119.9802	1.068	13	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|C<2>,1|C<4>}	C[6](C[6]C[6])2{1|C<2>,1|C<4>}	119.5048	0.910	5	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|C<2>,1|F<1>}	C[6](C[6]C[6])2{1|C<2>,1|F<1>}	119.4150	0.000	1	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|C<2>,1|N<2>}	C[6](C[6]C[6])2{1|C<2>,1|N<2>}	119.9220	0.000	1	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|C<2>,1|N<3>}	C[6](C[6]C[6])2{1|C<2>,1|N<3>}	120.1301	0.893	9	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|C<2>,1|N<4>}	C[6](C[6]C[6])2{1|C<2>,1|N<4>}	120.0450	0.000	1	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|C<2>,1|P<3>}	C[6](C[6]C[6])2{1|C<2>,1|P<3>}	119.8545	0.848	6	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|C<2>,1|P<4>}	C[6](C[6]C[6])2{1|C<2>,1|P<4>}	119.1183	3.798	75	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|C<2>,1|S<2>}	C[6](C[6]C[6])2{1|C<2>,1|S<2>}	118.9970	0.000	1	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|Ni<4>,1|C<2>}	C[6](C[6]C[6])2{1|Ni<4>,1|C<2>}	119.3950	0.000	1	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|Pd<3>,1|C<2>}	C[6](C[6]C[6])2{1|Pd<3>,1|C<2>}	119.7650	0.000	1	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|Se<3>,1|C<2>}	C[6](C[6]C[6])2{1|Se<3>,1|C<2>}	120.9300	1.644	3	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|Si<2>,1|C<2>}	C[6](C[6]C[6])2{1|Si<2>,1|C<2>}	118.6160	0.206	2	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{1|Si<4>,1|C<2>}	C[6](C[6]C[6])2{1|Si<4>,1|C<2>}	120.1328	1.017	5	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])2{2|C<2>}	C[6](C[6]C[6])2{2|C<2>}	120.2929	1.538	12	119.6718	20.127	372	119.5985	20.089	393	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:N[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])(C[6]N[6]){1|C<2>}	C[6](C[6]C[6])(N[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|N<2>}	118.5951	3.788	33	118.5951	14.352	33	118.5951	14.352	33	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:N[6]-2:	C[6]-2:N[6]-2:	C[6](C[6]N[6])2	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]N[6])2{1|C<2>}	C[6](C[6]C[6])(N[6]C[6]){1|N<2>}	C[6](C[6]C[6])(N[6]C[6]){1|N<2>}	119.8700	0.000	1	115.0247	35.256	3	115.0247	35.256	3	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:N[6]-2:	C[6]-2:N[6]-2:	C[6](C[6]N[6])2	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]N[6])2{1|C<3>}	C[6](C[6]C[6])(N[6]C[6]){1|N<2>,1|N<3>}	C[6](C[6]C[6])(N[6]C[6]){1|N<2>,1|N<3>}	116.8030	0.000	1	115.0247	35.256	3	115.0247	35.256	3	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:N[6]-2:	C[6]-2:N[6]-2:	C[6](C[6]N[6])2	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]N[6])2{1|C<3>}	C[6](C[6]C[6])(N[6]C[6]){1|N<2>,1|O<1>}	C[6](C[6]C[6])(N[6]C[6]){1|N<2>,1|O<1>}	108.4010	0.000	1	115.0247	35.256	3	115.0247	35.256	3	119.4893	19.850	429	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	3:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[3,6]-3:C[6]-2:	C[6](C[6]C[3,6])(C[6]C[6])	C[6](C[6]C[3,6])(C[6]C[6])	C[6](C[3,6]C[3,6]C[3])(C[6]C[6])	C[6](C[6]C[3,6])(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[3,6])(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[3,6]C[3,6]C[3])(C[6]C[6]){1|C<2>}	114.0000	0.000	1	114.0000	0.000	1	114.0000	0.000	1	119.0072	6.075	6	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	3:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){3|C<2>}	120.0295	0.304	4	120.0086	0.072	5	120.0086	0.072	5	119.0072	6.075	6	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	2:2:	3:2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6]){2|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){4|C<2>}	119.9250	0.000	1	120.0086	0.072	5	120.0086	0.072	5	119.0072	6.075	6	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[3x6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[3x6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6])	C[6](C[6]C[3x6])(C[6]C[6])	C[6](C[6]C[3x6])(C[6]C[6]){1|C<3>,1|C<4>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]){1|C<1>,1|C<2>,3|C<3>}	C[6](C[6]C[3x6])(C[6]C[6]){2|C<3>}	120.0420	0.539	2	120.6555	0.273	8	120.6555	0.273	8	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[3x6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[3x6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6])	C[6](C[6]C[3x6])(C[6]C[6])	C[6](C[6]C[3x6])(C[6]C[6]){1|C<3>,1|C<4>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]){1|Cl<1>,1|C<2>,3|C<3>}	C[6](C[6]C[3x6])(C[6]C[6]){2|C<3>}	120.8770	0.345	2	120.6555	0.273	8	120.6555	0.273	8	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[3x6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[3x6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6])	C[6](C[6]C[3x6])(C[6]C[6])	C[6](C[6]C[3x6])(C[6]C[6]){2|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]){1|C<2>,1|C<4>,2|C<3>}	C[6](C[6]C[3x6])(C[6]C[6]){1|C<3>,1|C<4>}	120.8515	0.406	4	120.6555	0.273	8	120.6555	0.273	8	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[5,6])(C[6]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6]){2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6])(C[6]C[6]){2|C<3>}	120.1930	0.016	2	120.9760	0.818	4	121.4020	1.026	9	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[5,6])(C[6]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6]){2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]){1|C<3>,1|N<3>,2|C<2>}	C[6](C[6]C[5,6])(C[6]C[6]){2|C<3>}	121.7590	0.008	2	120.9760	0.818	4	121.4020	1.026	9	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[5,6])(C[6]C[6])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6]){1|C<3>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]){1|C<2>,2|N<2>}	C[6](C[6]C[5,6])(C[6]C[6]){1|C<3>,1|N<2>}	122.5565	0.524	2	122.1565	0.343	4	121.4020	1.026	9	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[5,6])(C[6]C[6])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6]){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5,6])(C[6]C[6]){1|C<3>,1|N<3>}	121.9960	0.000	1	122.1565	0.343	4	121.4020	1.026	9	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[5,6])(C[6]C[6])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6]){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]){1|C<3>,1|N<3>,2|C<2>}	C[6](C[6]C[5,6])(C[6]C[6]){1|C<3>,1|N<3>}	121.5170	0.000	1	122.1565	0.343	4	121.4020	1.026	9	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[5,6])(C[6]C[6])	C[6](C[5,6]N[5,6]C[5])(C[6]C[6])	C[6](C[6]N[5,6])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6]){1|C<3>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]){2|C<2>,2|C<3>}	C[6](C[6]N[5,6])(C[6]C[6]){2|C<3>}	120.0880	0.000	1	120.0880	0.000	1	121.4020	1.026	9	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[5a,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[5a,6])(C[6]C[6])	C[6](C[5a,6]C[5a,6]2)(C[6]C[6])	C[6](C[6]C[5a,6])(C[6]C[6])	C[6](C[6]C[5a,6])(C[6]C[6]){2|C<3>}	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[5a,6])(C[6]C[6]){2|C<3>}	121.4681	0.334	10	121.4681	0.112	10	121.4681	0.112	10	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|S<4>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<3>,1|S<4>}	120.9900	0.000	1	120.5307	24.157	8	120.4578	21.186	9	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,2|C<2>}	C[6](C[6]C[6,6])(C[6]C[6]){2|C<3>}	117.6643	5.677	3	120.5307	24.157	8	120.4578	21.186	9	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6]){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]){2|C<3>}	120.2290	0.000	1	120.5307	24.157	8	120.4578	21.186	9	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6]){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,1|O<1>,2|C<2>}	C[6](C[6]C[6,6])(C[6]C[6]){2|C<3>}	120.5110	0.000	1	120.5307	24.157	8	120.4578	21.186	9	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6]){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,3|C<2>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>}	129.4460	0.000	1	120.5307	24.157	8	120.4578	21.186	9	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6]){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){2|C<2>,2|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>}	120.0770	0.000	1	120.5307	24.157	8	120.4578	21.186	9	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]S[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6]){1|C<3>,1|S<4>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]){1|N<3>,2|C<2>,2|O<1>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>}	119.8740	0.000	1	119.8740	0.000	1	120.4578	21.186	9	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	N[6]-2:C[6]-2:	C[6](C[6]C[6,6])(C[6]N[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](N[6]C[6,6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]N[6]){1|C<2>,1|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>}	C[6](N[6]C[6,6])(C[6]C[6]){2|C<3>}	118.9723	1.354	3	118.9723	1.834	3	118.9723	1.834	3	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6,6a]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6,6a])(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])	C[6](C[6]C[6,6a])(C[6]C[6])	C[6](C[6]C[6,6a])(C[6]C[6]){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]){1|C<2>,1|C<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6,6a])(C[6]C[6]){1|C<3>,1|S<2>}	121.9860	0.000	1	121.9860	0.000	1	122.3660	0.289	2	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6,6a]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6,6a])(C[6]C[6])	C[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6])	C[6](C[6]C[6,6a])(C[6]C[6])	C[6](C[6]C[6,6a])(C[6]C[6]){1|C<3>,1|S<2>}	C[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6]){1|C<2>,2|C<3>}	C[6](C[6]C[6,6a])(C[6]C[6]){2|C<3>}	122.7460	0.000	1	122.7460	0.000	1	122.3660	0.289	2	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[4]C[6])(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|C<4>}	C[6](C[6]C[4]C[6])(C[6]C[6]){1|C<2>,1|C<3>,2|C<4>}	C[6](C[6]C[6])2{1|C<3>}	120.2650	0.700	2	120.2650	0.490	2	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6])2{1|C<3>}	120.0314	0.937	7	120.0346	0.753	8	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|C<3>,1|N<3>,2|C<2>}	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	120.0570	0.000	1	120.0346	0.753	8	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[5a]C[6])(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>}	C[6](C[6]C[6])2{1|C<3>}	120.5870	0.455	2	120.4592	0.130	4	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[5a]C[6])(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6])2{1|C<3>}	120.3315	0.344	2	120.4592	0.130	4	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]){1|N<3>,2|C<2>}	C[6](C[6]C[6])2{1|C<3>}	120.6185	1.217	2	120.6185	1.481	2	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]B)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|B<4>,1|C<2>}	C[6](C[6]C[6]B)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	120.2618	1.010	58	120.2618	1.021	58	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<1>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	119.9202	7.451	9	119.9754	9.402	58	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	118.6888	0.370	5	119.9754	9.402	58	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	120.3312	1.233	12	119.9754	9.402	58	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	120.3491	0.606	7	119.9754	9.402	58	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	119.9767	1.635	24	119.9754	9.402	58	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	119.9880	0.000	1	119.9754	9.402	58	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	121.1085	0.063	2	121.1085	0.004	2	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	119.2675	0.161	2	119.2675	0.026	2	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]Ir)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|Ir<6>,1|C<3>}	C[6](C[6]C[6]Ir)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	120.3073	5.530	3	120.3073	30.576	3	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|N<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	120.0365	0.035	2	118.3932	18.128	30	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	120.4310	0.782	8	118.3932	18.128	30	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|N<4>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	120.5330	0.156	2	118.3932	18.128	30	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|N<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|N<2>}	C[6](C[6]C[6])2{1|C<3>,1|N<2>}	113.4792	3.063	6	118.3932	18.128	30	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6])2{2|C<3>}	119.0500	0.000	1	118.3932	18.128	30	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	120.2674	2.865	5	118.3932	18.128	30	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|S<3>}	C[6](C[6]C[6])2{1|C<3>,1|S<3>}	120.3580	0.000	1	118.3932	18.128	30	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|Ir<6>,1|C<2>}	C[6](C[6]C[6])2{1|Ir<6>,1|C<3>}	127.9790	0.000	1	118.3932	18.128	30	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|N<4>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|N<4>}	C[6](C[6]C[6])2{1|C<3>,1|N<4>}	114.4027	4.885	4	118.3932	18.128	30	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]N[5])(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]){3|C<2>}	C[6](C[6]C[6])2{1|C<3>}	120.4075	1.113	10	120.4297	1.084	12	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]N[5])(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]){1|Ir<6>,1|N<3>,2|C<2>}	C[6](C[6]C[6])2{1|Ir<6>,1|C<3>}	120.5410	0.865	2	120.4297	1.084	12	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]N[6])(C[6]C[6])	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<2>}	C[6](C[6]C[6])(C[6]N[6]){1|Cu<5>,1|C<3>}	118.8397	1.157	8	118.8475	1.061	10	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]N[6])(C[6]C[6])	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]){1|Pt<4>,1|N<3>,2|C<2>}	C[6](C[6]C[6])(C[6]N[6]){1|Pt<4>,1|C<3>}	118.8785	0.422	2	118.8475	1.061	10	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]Ni)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|Ni<4>,1|C<2>}	C[6](C[6]C[6]Ni)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	120.4615	0.477	2	120.4615	0.228	2	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6])2{2|C<3>}	120.0040	0.000	1	120.6177	0.671	10	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	120.7790	0.000	1	120.6177	0.671	10	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|P<4>}	C[6](C[6]C[6])2{1|C<3>,1|P<4>}	121.3310	0.000	1	120.6177	0.671	10	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|Cl<1>,1|C<2>}	C[6](C[6]C[6])2{1|Cl<1>,1|C<3>}	119.4780	0.436	2	120.6177	0.671	10	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	121.0214	0.618	5	120.6177	0.671	10	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|P<3>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	120.3457	1.165	12	119.0797	11.418	163	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|P<4>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	118.9606	3.510	148	119.0797	11.418	163	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|P<4>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	119.7480	0.000	1	119.0797	11.418	163	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|P<4>}	C[6](C[6]C[6]P)(C[6]C[6]){1|Pt<4>,1|C<2>}	C[6](C[6]C[6])2{1|Pt<4>,1|C<3>}	119.9625	0.872	2	119.0797	11.418	163	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]P[5])(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|P<4>}	C[6](C[6]C[6]P[5])(C[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6])2{1|C<3>}	119.4060	0.532	2	119.4060	0.283	2	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]Pd)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|Pd<3>,1|C<2>}	C[6](C[6]C[6]Pd)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	120.5740	0.441	2	120.5740	0.195	2	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]Pt)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|Pt<4>,1|C<3>}	C[6](C[6]C[6]Pt)(C[6]C[6]){1|C<2>,1|P<4>}	C[6](C[6]C[6])2{1|C<3>,1|P<4>}	119.9155	0.491	2	119.9155	0.242	2	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<2>,1|S<2>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	121.1980	0.877	2	120.9939	0.364	9	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|S<3>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	120.3820	0.000	1	120.9939	0.364	9	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|C<3>,1|S<3>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<2>,1|S<3>}	C[6](C[6]C[6])2{1|C<3>,1|S<3>}	121.0278	0.580	6	120.9939	0.364	9	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]Se)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|Se<3>,1|C<2>}	C[6](C[6]C[6]Se)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	119.4965	2.739	6	119.4965	7.499	6	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]Si)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|Si<2>,1|C<2>}	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	120.9648	0.408	4	120.0680	2.189	14	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]Si)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2{1|Si<4>,1|C<2>}	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<3>}	119.7093	1.614	10	120.0680	2.189	14	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])2{1|C<2>,1|N<3>}	C[6](C[6]N[6]C)(C[6]C[6]){1|Cu<5>,1|C<2>}	C[6](C[6]C[6])(C[6]N[6]){1|Cu<5>,1|C<3>}	119.0567	2.207	4	119.1962	3.045	6	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])2{1|C<2>,1|N<3>}	C[6](C[6]N[6]C)(C[6]C[6]){1|Ni<4>,1|C<2>}	C[6](C[6]C[6])(C[6]N[6]){1|Ni<4>,1|C<3>}	119.9130	0.000	1	119.1962	3.045	6	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])2{1|C<4>,1|N<3>}	C[6](C[6]N[6]C)(C[6]C[6]){1|B<4>,1|C<2>}	C[6](C[6]C[6])(C[6]N[6]){1|B<4>,1|C<3>}	119.0370	0.000	1	119.1962	3.045	6	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]N[6]N)(C[6]C[6])	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])2{1|N<2>,1|N<3>}	C[6](C[6]N[6]N)(C[6]C[6]){1|Ni<6>,1|C<2>}	C[6](C[6]C[6])(C[6]N[6]){1|Ni<6>,1|C<3>}	119.2720	0.000	1	119.2720	0.000	1	119.5660	8.194	408	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:N[6]-2:	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6]I)(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]C[6])(C[6]N[6]){1|C<2>,1|I<1>}	C[6](C[6]C[6]I)(C[6]C[6]){1|N<2>}	C[6](C[6]C[6])(N[6]C[6]){1|C<3>}	119.4220	0.000	1	119.4220	0.000	1	119.4220	0.000	1	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	N[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]N[5,6])(C[6]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6])	C[6](C[6]N[5,6])(C[6]C[6]){2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]){2|C<2>,2|C<3>}	C[6](C[6]C[5,6])(C[6]C[6]){1|C<3>,1|N<3>}	120.0270	0.000	1	120.0270	0.000	1	120.0270	0.000	1	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	N[5,6]-3:C[6]-2:	N[6]-2:C[6]-2:	C[6](C[6]N[5,6])(C[6]N[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6])	C[6](N[6]C[5,6])(C[6]C[6])	C[6](C[6]N[5,6])(C[6]N[6]){1|C<2>,1|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]){1|N<2>,2|C<2>}	C[6](N[6]C[5,6])(C[6]C[6]){1|C<2>,1|N<3>}	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])(C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])(C[6]N[6]){1|B<4>,1|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]){1|C<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6])2{1|C<4>,1|N<3>}	118.2370	0.000	1	118.2370	0.000	1	118.2247	13.487	23	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])(C[6]N[6])	C[6](N[6]C[6]Cu)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])(C[6]N[6]){1|Cu<5>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	119.1841	1.188	8	118.9887	1.262	12	118.2247	13.487	23	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])(C[6]N[6])	C[6](N[6]C[6]Cu)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])(C[6]N[6]){1|Cu<5>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|N<3>}	118.5980	1.014	4	118.9887	1.262	12	118.2247	13.487	23	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])(C[6]N[6])	C[6](N[6]C[6]Ni)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])(C[6]N[6]){1|Ni<4>,1|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|N<3>}	119.3510	0.000	1	119.0605	0.169	2	118.2247	13.487	23	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])(C[6]N[6])	C[6](N[6]C[6]Ni)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])(C[6]N[6]){1|Ni<6>,1|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]){1|C<2>,1|N<2>}	C[6](C[6]C[6])2{1|N<2>,1|N<3>}	118.7700	0.000	1	119.0605	0.169	2	118.2247	13.487	23	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])(C[6]N[6])	C[6](N[6]C[6]Pd)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])(C[6]N[6]){1|Pd<4>,1|C<2>}	C[6](N[6]C[6]Pd)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|N<3>}	119.5255	0.230	2	119.5255	0.053	2	118.2247	13.487	23	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])(C[6]N[6])	C[6](N[6]C[6]Pt)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])(C[6]N[6]){1|Pt<4>,1|C<2>}	C[6](N[6]C[6]Pt)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|N<3>}	107.2025	1.358	2	113.3393	51.042	4	118.2247	13.487	23	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])(C[6]N[6])	C[6](N[6]C[6]Pt)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])(C[6]N[6]){1|Pt<4>,1|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	119.4760	0.802	2	113.3393	51.042	4	118.2247	13.487	23	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])(C[6]N[6])	C[6](N[6]C[6]Sr)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])(C[6]N[6]){1|Sr<6>,1|C<2>}	C[6](N[6]C[6]Sr)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|N<3>}	121.2680	1.925	2	121.2680	3.705	2	118.2247	13.487	23	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	O[3,6]-3:C[6]-2:	O[6]-2:C[6]-2:	C[6](C[6]O[3,6])(C[6]O[6])	C[6](O[3,6]C[3,3,6]O[3,3])(C[6]C[6])	C[6](O[6]C[3,3,6])(C[6]C[6])	C[6](C[6]O[3,6])(C[6]O[6]){1|C<5>,1|O<3>}	C[6](O[3,6]C[3,3,6]O[3,3])(C[6]C[6]){1|C<4>,2|O<2>}	C[6](O[6]C[3,3,6])(C[6]C[6]){1|C<4>,1|O<2>,2|O<3>}	84.0122	0.000	2	84.0122	0.000	2	84.0122	0.000	2	119.4588	13.681	477	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6]C)(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6]){1|C<3>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,2|C<2>}	C[6](C[6]C[6,6]C)(C[6]C[6]){1|C<2>,1|C<3>}	121.4940	0.000	1	121.4940	0.000	1	121.5314	0.453	5	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6]N)(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>}	C[6](C[6]C[6,6]N)(C[6]C[6]){1|C<3>,1|N<2>}	121.5490	0.951	3	121.5408	0.603	4	121.5314	0.453	5	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6]N)(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6,6]N)(C[6]C[6]){1|C<3>,1|N<3>}	121.5160	0.000	1	121.5408	0.603	4	121.5314	0.453	5	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	N[6]-3:C[6]-2:	C[6](C[6]C[6,6])(C[6]N[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](N[6]C[6,6]Pd)(C[6]C[6])	C[6](C[6]C[6,6])(C[6]N[6]){1|Pd<4>,1|C<2>,1|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[6](N[6]C[6,6]Pd)(C[6]C[6]){2|C<3>}	119.5280	0.000	1	119.5280	0.000	1	119.5280	0.000	1	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2{1|C<3>,2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|O<2>}	120.1180	0.508	2	120.3290	0.113	5	120.0179	2.696	17	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2{3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|N<2>}	120.4420	0.000	1	120.3290	0.113	5	120.0179	2.696	17	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2{3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|S<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|S<2>}	120.4835	0.207	2	120.3290	0.113	5	120.0179	2.696	17	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2{1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<3>,1|O<1>}	119.9190	0.000	1	119.9190	0.000	1	120.0179	2.696	17	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6]Fe)(C[6]C[6])	C[6](C[6]C[6])2{1|Cl<1>,1|Fe<6>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]Fe)(C[6]C[6]){1|C<2>,1|C<3>}	121.0750	0.000	1	121.0750	0.000	1	120.0179	2.696	17	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|B<4>,1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|B<4>,1|C<3>}	117.5270	0.000	1	117.5270	0.000	1	120.0179	2.696	17	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2{1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<3>,1|H<1>}	119.5480	0.000	1	119.5480	0.000	1	120.0179	2.696	17	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2{1|C<3>,2|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<3>,1|N<3>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<3>,1|N<3>}	121.8850	0.000	1	121.8850	0.000	1	120.0179	2.696	17	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]C[6]Pd)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2{1|Pd<4>,1|C<1>,1|C<3>}	C[6](C[6]C[6]Pd)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	120.2080	0.000	1	120.2080	0.000	1	120.0179	2.696	17	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]C[6])2{1|N<3>,2|C<1>}	C[6](C[6]N[6]C)(C[6]C[6]){1|Au<4>,1|C<3>}	C[6](C[6]N[6]C)(C[6]C[6]){1|Au<4>,1|C<3>}	118.8210	0.000	1	119.9055	2.352	2	120.0179	2.696	17	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]C[6])2{1|N<3>,2|C<3>}	C[6](C[6]N[6]C)(C[6]C[6]){1|Co<6>,1|C<3>}	C[6](C[6]N[6]C)(C[6]C[6]){1|Co<6>,1|C<3>}	120.9900	0.000	1	119.9055	2.352	2	120.0179	2.696	17	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]N[6]O)(C[6]C[6])	C[6](C[6]N[6]P)(C[6]C[6])	C[6](C[6]C[6])2{1|N<3>,1|O<2>,1|P<4>}	C[6](C[6]N[6]O)(C[6]C[6]){1|Cr<4>,1|C<3>}	C[6](C[6]N[6]P)(C[6]C[6]){1|Cr<4>,1|C<3>}	119.6718	3.070	4	119.6718	9.426	4	120.0179	2.696	17	120.3257	2.476	23	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	4:2:	3:2:	C[6]-2:C[6]-2:	C[5,6]-4:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[5,6])(C[6]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6])	C[6](C[6]C[5,6]C)(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6]){1|C<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]){1|C<3>,1|C<4>,2|C<2>}	C[6](C[6]C[5,6]C)(C[6]C[6]){1|C<2>,1|C<4>}	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	119.4720	16.322	937	119.4720	16.322	937
206	206	206	6:SP1_SP1_SP1	C[6]	C[6]	C[6]	2:2:	4:2:	4:2:	C[6]-2:C[6]-2:	C[6]-4:C[6]-2:	C[6]-4:C[6]-2:	C[6](C[6]C[6])2	C[6](C[6]N[6]CC)(C[6]C[6])	C[6](C[6]N[6]CC)(C[6]C[6])	C[6](C[6]C[6])2{1|N<3>,4|C<1>}	C[6](C[6]N[6]CC)(C[6]C[6]){1|C<4>,1|O<2>}	C[6](C[6]N[6]CC)(C[6]C[6]){1|C<4>,1|O<2>}	108.8610	0.000	1	108.8610	0.000	1	108.8610	0.000	1	108.8610	0.000	1	119.4720	16.322	937	119.4720	16.322	937
206	206	286	6:SP1_SP1_SP2	C[6]	C[6]	S[6]	2:2:	2:2:	3:2:	S[6]-2:C[6]-2:	S[6]-2:C[6]-2:	C[5,6]-3:C[6]-2:	C[6](S[6]C[5,6])(C[6]S[6])	C[6](S[6]C[5,6])(C[6]S[6])	S[6](C[5,6]C[5,6]S[5])(C[6]C[6])	C[6](S[6]C[5,6])(C[6]S[6]){1|C<3>,1|S<2>}	C[6](S[6]C[5,6])(C[6]S[6]){1|C<3>,1|S<2>}	S[6](C[5,6]C[5,6]S[5])(C[6]C[6]){1|C<3>,2|S<2>}	120.0288	6.197	17	120.0288	38.401	17	120.0288	38.401	17	120.0288	38.401	17	120.0288	38.401	17	120.0288	38.401	17
206	206	374	6:SP1_SP1_SP3	C[6]	C[6]	O[3,6]	3:2:	2:2:	5:3:2:	O[3,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[3,3,6]-5:O[3,3]-3:C[6]-2:	C[6](O[3,6]C[3,3,6]O[3,3])(C[6]C[6])	C[6](C[6]O[3,6])(C[6]O[6])	O[3,6](C[3,3,6]O[3,3]C[5]O[3]O[6])(O[3,3]C[3,3,6]O[3])(C[6]C[6])	C[6](O[3,6]C[3,3,6]O[3,3])(C[6]C[6]){1|C<4>,2|O<2>}	C[6](C[6]O[3,6])(C[6]O[6]){1|C<5>,1|O<3>}	O[3,6](C[3,3,6]O[3,3]C[5]O[3]O[6])(O[3,3]C[3,3,6]O[3])(C[6]C[6]){1|C<2>,1|N<3>,2|C<4>}	107.6810	0.000	2	107.6810	0.000	2	107.6810	0.000	2	107.6810	0.000	2	107.6810	0.000	2	107.6810	0.000	2
206	206	466	6:SP1_SP1_SP3	C[6,6]	C[6,6]	C[3x6]	4:2:	4:2:	2:2:2:4:	C[3x6]-4:C[6,6]-2:	C[3x6]-4:C[6,6]-2:	C[6,6]-2:C[6,6]-2:C[6,6]-2:C-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6])	C[6,6](C[3x6]C[6,6]2P)(C[6,6]C[3x6])	C[3x6](C[6,6]C[6,6])3(CC3)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]){1|P<4>,2|C<2>}	C[6,6](C[3x6]C[6,6]2P)(C[6,6]C[3x6]){1|C<4>,2|C<2>}	C[3x6](C[6,6]C[6,6])3(CC3){1|C<4>}	124.3917	0.024	3	124.3917	0.001	3	124.3917	0.001	3	123.1286	2.992	5	123.1286	2.992	5	118.2653	33.437	10
206	206	466	6:SP1_SP1_SP3	C[6,6]	C[6,6]	C[3x6]	4:2:	4:2:	2:2:2:4:	C[3x6]-4:C[6,6]-2:	C[3x6]-4:C[6,6]-2:	C[6,6]-2:C[6,6]-2:C[6,6]-2:P-4:	C[6,6](C[3x6]C[6,6]2P)(C[6,6]C[3x6])	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6])	C[3x6](C[6,6]C[6,6])3(PO3)	C[6,6](C[3x6]C[6,6]2P)(C[6,6]C[3x6]){1|C<4>,2|C<2>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]){1|P<4>,2|C<2>}	C[3x6](C[6,6]C[6,6])3(PO3){1|C<4>}	121.2340	0.027	2	121.2340	0.001	2	121.2340	0.001	2	123.1286	2.992	5	123.1286	2.992	5	118.2653	33.437	10
206	206	466	6:SP1_SP1_SP3	C[6]	C[6]	C[6]	2:4:	4:2:	2:2:2:2:	C[6]-2:C[6]-4:	C[5,3x6]-4:C[6]-2:	C[6]-2:C[6]-2:S-2:S-2:	C[6](C[6]C[5,3x6])(C[6]C[6]SS)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6])	C[6](C[6]C[5,3x6])(C[6]C[6])(SC)2	C[6](C[6]C[5,3x6])(C[6]C[6]SS){1|C<4>,2|C<3>}	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6]){1|C<2>,2|S<2>,6|C<3>}	C[6](C[6]C[5,3x6])(C[6]C[6])(SC)2{1|C<4>,2|C<3>}	112.0590	0.000	1	112.0590	0.000	1	112.0590	0.000	1	112.0590	0.000	1	113.4020	13.113	5	118.2653	33.437	10
206	206	466	6:SP1_SP1_SP3	C[6]	C[6]	C[6]	4:2:	2:2:	3:2:1:1:	C[6]-4:C[6]-2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:C-1:C-1:	C[6](C[6]N[6]CC)(C[6]C[6])	C[6](C[6]C[6])2	C[6](N[6]C[6]O)(C[6]C[6])(C)2	C[6](C[6]N[6]CC)(C[6]C[6]){1|C<4>,1|O<2>}	C[6](C[6]C[6])2{1|N<3>,4|C<1>}	C[6](N[6]C[6]O)(C[6]C[6])(C)2{1|C<2>,2|C<1>}	112.6275	0.161	2	112.6275	0.026	2	112.6275	0.026	2	112.6275	0.026	2	113.4020	13.113	5	118.2653	33.437	10
206	206	466	6:SP1_SP1_SP3	C[6]	C[6]	C[6]	4:2:	3:2:	3:2:4:1:	C[6]-4:C[6]-2:	C[6,6]-3:C[6]-2:	C[6]-3:C[6]-2:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6]O)(C[6]C[6])(CC[6]HS)(H)	C[6](C[6]C[6]CH)(C[6]C[6,6]){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6])(CC[6]HS)(H){1|C<2>,1|C<3>}	110.0920	0.000	1	110.0920	0.000	1	110.0920	0.000	1	110.0920	0.000	1	113.4020	13.113	5	118.2653	33.437	10
206	206	466	6:SP1_SP1_SP3	C[6]	C[6]	C[6]	4:2:	3:2:	3:4:2:1:	C[6]-4:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:P-4:C[6]-2:H-1:	C[6](C[6]C[6]HP)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(PC[6]2Pd)(C[6]C[6])(H)	C[6](C[6]C[6]HP)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]H)(PC[6]2Pd)(C[6]C[6])(H){1|C<3>,1|H<1>}	119.6040	0.000	1	119.6040	0.000	1	119.6040	0.000	1	119.6040	0.000	1	113.4020	13.113	5	118.2653	33.437	10
206	206	474	6:SP1_SP1_SP3	C[6]	C[6]	C[5,3x6]	4:2:	2:4:	3:3:4:2:	C[5,3x6]-4:C[6]-2:	C[6]-2:C[6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-2:	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6])	C[6](C[6]C[5,3x6])(C[6]C[6]SS)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6])	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6]){1|C<2>,2|S<2>,6|C<3>}	C[6](C[6]C[5,3x6])(C[6]C[6]SS){1|C<4>,2|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]){1|C<4>,8|C<3>}	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	109.8390	2.757	2
206	206	474	6:SP1_SP1_SP3	C[6]	C[6]	C[5,6]	4:2:	2:2:	3:3:2:3:	C[5,6]-4:C[6]-2:	C[6]-2:C[6]-2:	C[5,6]-3:C[5]-3:C[6]-2:C-3:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6])(CHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]){1|C<3>,1|C<4>,2|C<2>}	C[6](C[6]C[5,6])(C[6]C[6]){1|C<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6])(CHH){2|C<2>}	111.0130	0.000	1	111.0130	0.000	1	111.0130	0.000	1	111.0130	0.000	1	111.0130	0.000	1	109.8390	2.757	2
206	206	542	6:SP1_SP1_SP2	C[6]	C[6]	N[5,6]	3:2:	2:2:	3:2:2:	N[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[5,6]-3:C[5]-2:C[6]-2:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6])	C[6](C[6]N[5,6])(C[6]N[6])	N[5,6](C[5,6]C[5]N[6])(C[5]C[5])(C[6]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]){1|N<2>,2|C<2>}	C[6](C[6]N[5,6])(C[6]N[6]){1|C<2>,1|C<3>}	N[5,6](C[5,6]C[5]N[6])(C[5]C[5])(C[6]C[6]){1|C<2>}	117.8190	0.000	1	117.8190	0.000	1	117.8190	0.000	1	117.8190	0.000	1	117.2305	8.211	4	117.2305	8.211	4
206	206	542	6:SP1_SP1_SP2	C[6]	C[6]	N[5,6]	3:2:	2:2:	3:3:2:	N[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[5,6]-3:C[5]-3:C[6]-2:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6])	C[6](C[6]N[5,6])(C[6]C[6])	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]){2|C<2>,2|C<3>}	C[6](C[6]N[5,6])(C[6]C[6]){2|C<3>}	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]){1|C<2>,1|C<3>}	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	117.2305	8.211	4	117.2305	8.211	4
206	206	542	6:SP1_SP1_SP2	C[6]	C[6]	N[5,6]	3:2:	2:3:	3:2:2:	N[5,6]-3:C[6]-2:	C[6]-2:C[6]-3:	C[5,6]-3:C[6]-2:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6])	C[6](C[6]N[5,6])(C[6]N[6]O)	N[5,6](C[5,6]N[5]N[6])(C[6]C[6])(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]){1|C<2>,1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6])(C[6]N[6]O){1|C<3>,1|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[6]C[6])(N[5]C[5]){1|Co<6>,1|C<3>}	115.3430	2.647	2	115.3430	7.009	2	115.3430	7.009	2	115.3430	7.009	2	117.2305	8.211	4	117.2305	8.211	4
206	206	622	6:SP1_SP1_SP3	C[6]	C[6]	O[6]	2:2:	2:2:	2:2:	C[6]-2:O[6]-2:	C[6]-2:O[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]O[6])(O[6]C[6])	C[6](C[6]O[6])(O[6]C[6])	O[6](C[6]C[6])2	C[6](C[6]O[6])(O[6]C[6]){1|C<2>}	C[6](C[6]O[6])(O[6]C[6]){1|C<2>}	O[6](C[6]C[6])2{1|O<2>}	114.5314	7.231	7	114.5314	52.283	7	114.5314	52.283	7	114.5314	52.283	7	113.1726	28.863	13	113.1726	28.863	13
206	206	622	6:SP1_SP1_SP3	C[6]	C[6]	O[6]	2:2:	2:2:	5:2:	O[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[3,3,6]-5:C[6]-2:	C[6](O[6]C[3,3,6])(C[6]C[6])	C[6](C[6]O[3,6])(C[6]O[6])	O[6](C[3,3,6]O[3,3]O[3,6]C[5]O[3])(C[6]C[6])	C[6](O[6]C[3,3,6])(C[6]C[6]){1|C<4>,1|O<2>,2|O<3>}	C[6](C[6]O[3,6])(C[6]O[6]){1|C<5>,1|O<3>}	O[6](C[3,3,6]O[3,3]O[3,6]C[5]O[3])(C[6]C[6]){1|C<2>,1|N<3>,2|C<4>}	112.8270	0.000	2	112.8270	0.000	2	112.8270	0.000	2	112.8270	0.000	2	113.1726	28.863	13	113.1726	28.863	13
206	206	622	6:SP1_SP1_SP3	C[6]	C[6]	O[6]	2:2:	3:2:	2:2:	C[6]-2:O[6]-2:	N[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]N[6])(O[6]C[6])	C[6](N[6]C[6]C)(C[6]O[6])	O[6](C[6]C[6])2	C[6](C[6]N[6])(O[6]C[6]){2|C<2>}	C[6](N[6]C[6]C)(C[6]O[6]){1|C<2>}	O[6](C[6]C[6])2{1|N<3>}	110.9675	0.119	4	110.9675	0.014	4	110.9675	0.014	4	110.9675	0.014	4	113.1726	28.863	13	113.1726	28.863	13
206	206	643	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:	2:2:	3:2:2:	C[6,6a]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6a]-3:S[6a]-2:C[6]-2:	C[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6])	C[6](C[6]C[6,6a])(C[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6])	C[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6]){1|C<2>,2|C<3>}	C[6](C[6]C[6,6a])(C[6]C[6]){1|C<3>,1|S<2>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6]){1|C<3>,1|O<1>,2|C<2>}	116.7120	0.000	1	116.7120	0.000	1	116.7120	0.000	1	116.7120	0.000	1	118.8337	2.464	4	118.8337	2.464	4
206	206	643	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:	2:2:	3:3:2:	C[6,6a]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])	C[6](C[6]C[6,6a])(C[6]C[6])	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]){1|C<2>,1|C<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6,6a])(C[6]C[6]){2|C<3>}	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]){1|C<3>,2|C<2>}	118.6370	0.000	1	118.6370	0.000	1	118.6370	0.000	1	118.6370	0.000	1	118.8337	2.464	4	118.8337	2.464	4
206	206	643	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:	2:3:	3:2:2:	C[6,6a]-3:C[6]-2:	C[6]-2:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-2:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6])	C[6](C[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	119.7070	0.000	1	119.7070	0.000	1	119.7070	0.000	1	119.7070	0.000	1	118.8337	2.464	4	118.8337	2.464	4
206	206	643	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6a]	3:2:	2:3:	3:3:2:	C[6,6a]-3:C[6]-2:	C[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])	C[6](C[6]C[6,6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a])(C[6]N[6]H){1|Cu<6>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	118.8337	2.464	4	118.8337	2.464	4
206	206	727	6:SP1_SP1_SP2	C[6]	C[6]	C[5a,6]	3:2:	2:2:	3:3:2:	C[5a,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[5a,6]-3:C[5a,6]-3:C[6]-2:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6])	C[6](C[6]C[5a,6])(C[6]C[6])	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6])	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[5a,6])(C[6]C[6]){2|C<3>}	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]){1|B<4>,1|C<2>,1|C<3>,1|N<2>}	117.7737	0.385	10	117.7737	0.148	10	117.7737	0.148	10	117.7737	0.148	10	117.7319	0.264	12	117.7319	0.264	12
206	206	727	6:SP1_SP1_SP2	C[6]	C[6]	C[5a,6]	3:2:	2:3:	3:2:2:	C[5a,6]-3:C[6]-2:	C[6]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6])	C[6](C[6]C[5a,6])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a,6])(C[6]C[6]H){1|C<3>,1|N<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	116.6670	0.000	1	116.6670	0.000	1	116.6670	0.000	1	116.6670	0.000	1	117.7319	0.264	12	117.7319	0.264	12
206	206	727	6:SP1_SP1_SP2	C[6]	C[6]	C[5a,6]	3:2:	3:2:	3:2:2:	C[5a,6]-3:C[6]-2:	C[5a,6]-3:C[6]-2:	C[5a,6]-3:S[5a]-2:C[6]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6])	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(S[5a]C[5a,6a])(C[6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]){1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]){1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(S[5a]C[5a,6a])(C[6]C[6]){4|C<3>}	118.3790	0.000	1	118.3790	0.000	1	118.3790	0.000	1	118.3790	0.000	1	117.7319	0.264	12	117.7319	0.264	12
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[3x6]	3:2:	2:2:	3:3:2:	C[3x6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[6](C[3x6]C[3x6]2)(C[6]C[6])	C[6](C[6]C[3x6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6]){1|C<2>,1|C<4>,2|C<3>}	C[6](C[6]C[3x6])(C[6]C[6]){2|C<3>}	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|C<1>,2|C<2>,3|C<3>}	118.5965	0.432	2	118.8208	0.129	4	118.8208	0.129	4	118.8208	0.129	4	118.9706	0.249	8	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[3x6]	3:2:	2:2:	3:3:2:	C[3x6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[6](C[3x6]C[3x6]2)(C[6]C[6])	C[6](C[6]C[3x6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6]){1|C<2>,1|C<4>,2|C<3>}	C[6](C[6]C[3x6])(C[6]C[6]){2|C<3>}	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|Cl<1>,2|C<2>,3|C<3>}	119.0450	0.020	2	118.8208	0.129	4	118.8208	0.129	4	118.8208	0.129	4	118.9706	0.249	8	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[3x6]	3:2:	2:2:	4:3:2:	C[3x6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[6](C[3x6]C[3x6]2)(C[6]C[6])	C[6](C[6]C[3x6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6]){1|C<1>,1|C<2>,3|C<3>}	C[6](C[6]C[3x6])(C[6]C[6]){1|C<3>,1|C<4>}	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	119.4895	0.368	2	119.4895	0.136	2	119.1205	0.392	4	119.1205	0.392	4	118.9706	0.249	8	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[3x6]	3:2:	2:2:	4:3:2:	C[3x6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[6](C[3x6]C[3x6]2)(C[6]C[6])	C[6](C[6]C[3x6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6]){1|Cl<1>,1|C<2>,3|C<3>}	C[6](C[6]C[3x6])(C[6]C[6]){1|C<3>,1|C<4>}	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	118.7515	0.704	2	118.7515	0.495	2	119.1205	0.392	4	119.1205	0.392	4	118.9706	0.249	8	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:2:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,2|C<2>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<2>,2|C<3>}	120.8160	0.000	1	122.2840	34.157	7	120.9104	15.450	16	120.9104	15.450	16	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:2:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,2|C<2>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<3>,2|C<2>}	134.9860	0.000	1	122.2840	34.157	7	120.9104	15.450	16	120.9104	15.450	16	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:2:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,2|C<2>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{3|C<2>}	121.3000	0.000	1	122.2840	34.157	7	120.9104	15.450	16	120.9104	15.450	16	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:2:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,2|C<2>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<3>,2|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{3|C<2>}	116.4590	0.000	1	122.2840	34.157	7	120.9104	15.450	16	120.9104	15.450	16	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:2:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){3|C<2>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{2|C<2>}	120.8090	0.105	3	122.2840	34.157	7	120.9104	15.450	16	120.9104	15.450	16	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:2:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2{1|N<2>,2|C<2>}	119.8977	0.383	3	119.7463	0.189	4	120.9104	15.450	16	120.9104	15.450	16	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:2:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2{1|Pd<4>,1|N<3>,2|C<2>}	119.2920	0.000	1	119.7463	0.189	4	120.9104	15.450	16	120.9104	15.450	16	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:2:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]S[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|S<4>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6])2{1|C<2>,1|C<3>,1|N<3>,2|O<1>}	121.2340	0.000	1	121.2340	0.000	1	120.9104	15.450	16	120.9104	15.450	16	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:2:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]N[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>}	C[6](C[6]C[6,6])(C[6]N[6]){1|C<2>,1|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2{1|N<2>,2|C<2>}	119.5717	0.515	3	119.5900	0.178	4	120.9104	15.450	16	120.9104	15.450	16	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:2:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]N[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6,6])(C[6]N[6]){1|Pd<4>,1|C<2>,1|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2{1|Pd<4>,1|N<3>,2|C<2>}	119.6450	0.000	1	119.5900	0.178	4	120.9104	15.450	16	120.9104	15.450	16	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:3:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,3|C<2>}	C[6](C[6]C[6,6])(C[6]C[6]){2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]){1|Pd<4>,2|C<2>}	106.9870	0.000	1	112.4930	60.632	2	116.1405	37.996	4	117.1084	33.181	5	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:3:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){4|C<2>}	C[6](C[6]C[6,6])(C[6]C[6]){2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]){2|C<2>}	117.9990	0.000	1	112.4930	60.632	2	116.1405	37.996	4	117.1084	33.181	5	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:3:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]){2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|N<3>,1|O<1>,2|C<2>}	119.5240	0.000	1	119.7880	0.139	2	116.1405	37.996	4	117.1084	33.181	5	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:3:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,1|O<1>,2|C<2>}	C[6](C[6]C[6,6])(C[6]C[6]){2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>,1|O<2>}	120.0520	0.000	1	119.7880	0.139	2	116.1405	37.996	4	117.1084	33.181	5	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:3:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6,6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){2|C<2>,2|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]){2|C<3>}	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|N<2>,1|N<3>,1|P<3>,2|C<2>}	120.9800	0.000	1	120.9800	0.000	1	120.9800	0.000	1	117.1084	33.181	5	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:2:	3:4:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:S[6]-4:C[6]-2:	C[6](C[6,6]C[6,6]S[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	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]){1|N<3>,2|C<2>,2|O<1>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<3>,1|S<4>}	C[6,6](C[6,6]C[6]2)(S[6]N[6]OO)(C[6]C[6]){1|C<2>,2|C<3>}	117.9560	0.000	1	117.9560	0.000	1	117.9560	0.000	1	117.9560	0.000	1	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:3:	3:2:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-3:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6]P)	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,1|P<3>,2|C<2>}	C[6](C[6]C[6,6])(C[6]C[6]P){1|C<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<2>,2|C<3>}	121.5160	0.000	1	121.5160	0.000	1	120.9985	0.536	2	120.9985	0.536	2	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:3:	3:2:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-3:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]N[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6])(C[6]N[6]H){1|Cd<6>,1|C<2>,1|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6])2{1|Cd<6>,1|N<3>,2|C<3>}	120.4810	0.000	1	120.4810	0.000	1	120.9985	0.536	2	120.9985	0.536	2	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	2:3:	3:3:2:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<2>}	C[6](C[6]C[6,6])(C[6]C[6]O){2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	119.7980	0.000	1	119.7980	0.000	1	119.7980	0.000	1	119.7980	0.000	1	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	3:2:	3:2:2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|C<2>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6])2{1|Cd<6>,1|N<3>,2|C<3>}	122.7470	0.000	1	122.7470	0.000	1	122.7470	0.000	1	117.5475	54.070	2	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	3:2:	3:2:2:	C[6,6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6]Pd)(C[6]C[6,6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|Pd<4>,1|C<3>,2|C<2>}	C[6](C[6]C[6]Pd)(C[6]C[6,6]){1|C<3>,2|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<3>,2|C<2>}	112.3480	0.000	1	112.3480	0.000	1	112.3480	0.000	1	117.5475	54.070	2	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|C<2>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	120.8810	0.000	1	121.6240	1.948	3	121.6240	1.948	3	121.6240	1.948	3	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	120.7570	0.000	1	121.6240	1.948	3	121.6240	1.948	3	121.6240	1.948	3	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	3:2:	3:3:2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	123.2340	0.000	1	121.6240	1.948	3	121.6240	1.948	3	121.6240	1.948	3	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6,6]	3:2:	4:2:	3:2:2:	C[6,6]-3:C[6]-2:	C[6]-4:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6]CH)(C[6]C[6,6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6,6]){1|C<2>,1|C<3>,1|O<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<2>,1|C<4>,1|O<1>,1|O<2>}	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	110.7510	0.000	1	119.6961	19.563	31	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	2:3:	3:2:	2:2:1:	C[6]-2:C[6]-3:	C[5a,6]-3:C[6]-2:	C[6]-2:C[6]-2:H-1:	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])	C[6](C[6]C[5a,6])(C[6]C[6])(H)	C[6](C[6]C[5a,6])(C[6]C[6]H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a,6])(C[6]C[6])(H){1|C<3>,1|N<3>}	122.0840	0.000	1	122.0840	0.000	1	122.0840	0.000	1	121.5453	4.198	3	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	2:3:	3:2:	2:2:1:	C[6]-2:C[6]-3:	N[5,6]-3:C[6]-2:	N[6]-2:C[6]-2:O-1:	C[6](C[6]N[5,6])(C[6]N[6]O)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6])	C[6](N[6]C[5,6])(C[6]C[6])(O)	C[6](C[6]N[5,6])(C[6]N[6]O){1|C<3>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]){1|C<2>,1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[5,6])(C[6]C[6])(O){2|N<3>}	121.2760	2.821	2	121.2760	7.960	2	121.2760	7.960	2	121.5453	4.198	3	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	2:3:	3:2:	2:2:2:	C[6]-2:C[6]-3:	C[6,6]-3:C[6]-2:	C[6]-2:C[6]-2:O-2:	C[6](C[6]C[6,6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])(OC)	C[6](C[6]C[6,6])(C[6]C[6]O){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<2>}	C[6](C[6]C[6,6])(C[6]C[6])(OC){1|C<2>,1|C<3>}	120.8990	0.000	1	120.8990	0.000	1	120.8990	0.000	1	120.8990	0.000	1	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	2:3:	3:2:	3:2:1:	C[6]-2:C[6]-3:	C[6,6]-3:C[6]-2:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6,6])(C[6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	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){1|Cd<6>,1|C<2>,1|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6,6]Cd)(C[6]C[6])(H){2|C<3>}	118.8720	0.000	1	118.8720	0.000	1	118.8720	0.000	1	119.7813	0.766	3	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	2:3:	3:2:	3:2:1:	C[6]-2:C[6]-3:	C[6,6a]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	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])	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){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6])(H){2|C<3>}	120.6180	0.000	1	120.6180	0.000	1	120.6180	0.000	1	119.7813	0.766	3	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	2:3:	3:2:	3:2:1:	C[6]-2:C[6]-3:	C[6,6a]-3:C[6]-2:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6,6a])(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])	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){1|Cu<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6])(H){2|C<3>}	119.8540	0.000	1	119.8540	0.000	1	119.8540	0.000	1	119.7813	0.766	3	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	2:3:	3:2:	3:2:3:	C[6]-2:C[6]-3:	C[6,6]-3:C[6]-2:	C[6]-3:C[6]-2:P-3:	C[6](C[6]C[6,6])(C[6]C[6]P)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])	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){1|C<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|C<3>,1|P<3>,2|C<2>}	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>}	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:C-1:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<1>,1|C<2>}	C[6](C[6]C[6])2(C){1|C<2>}	120.1673	4.855	9	120.1673	23.570	9	120.1673	23.570	9	119.5836	15.560	14	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:F-1:	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|F<1>}	C[6](C[6]C[6])2(F){1|C<2>}	119.4850	0.402	2	119.4850	0.161	2	119.4850	0.161	2	119.5836	15.560	14	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:I-1:	C[6](C[6]C[6]I)(C[6]C[6])	C[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])(C[6]N[6])(I)	C[6](C[6]C[6]I)(C[6]C[6]){1|N<2>}	C[6](C[6]C[6])(C[6]N[6]){1|C<2>,1|I<1>}	C[6](C[6]C[6])(C[6]N[6])(I){1|C<2>}	118.8930	0.000	1	118.8930	0.000	1	118.8930	0.000	1	119.5836	15.560	14	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-2:N[6]-2:	C[6]-2:N[6]-2:N-1:	C[6](C[6]N[6]N)(C[6]N[6])	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]C[6])(N[6]C[6])(N)	C[6](C[6]N[6]N)(C[6]N[6]){1|C<3>}	C[6](C[6]C[6])(N[6]C[6]){1|N<1>,1|N<2>,1|O<1>}	C[6](C[6]C[6])(N[6]C[6])(N){1|N<2>,1|O<1>}	117.4005	0.678	2	117.4005	0.460	2	117.4005	0.460	2	119.5836	15.560	14	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(CC)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{2|C<2>}	C[6](C[6]C[6])2(CC){1|C<2>}	119.5330	1.296	4	119.5330	1.680	4	119.7697	2.348	23	120.0168	2.400	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(CN)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{2|C<2>}	C[6](C[6]C[6])2(CN){1|C<2>}	119.5118	1.722	8	119.5118	2.966	8	119.7697	2.348	23	120.0168	2.400	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(CO)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{2|C<2>}	C[6](C[6]C[6])2(CO){1|C<2>}	119.7080	1.888	7	119.7080	3.566	7	119.7697	2.348	23	120.0168	2.400	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(CS)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{2|C<2>}	C[6](C[6]C[6])2(CS){1|C<2>}	120.6305	0.483	4	120.6305	0.233	4	119.7697	2.348	23	120.0168	2.400	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:N-2:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(NRe)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|N<2>}	C[6](C[6]C[6])2(NRe){1|C<2>}	119.9950	0.008	2	119.9950	0.000	2	119.9950	0.000	2	120.0168	2.400	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:S-2:	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(SNi)	C[6](C[6]C[6]S)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|S<2>}	C[6](C[6]C[6])2(SNi){1|C<2>}	119.0950	1.162	2	119.0950	1.351	2	119.0950	1.351	2	120.0168	2.400	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:Si-2:	C[6](C[6]C[6]Si)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(SiRu)	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|Si<2>,1|C<2>}	C[6](C[6]C[6])2(SiRu){1|C<2>}	121.9095	0.726	4	121.9095	0.527	4	121.9095	0.527	4	120.0168	2.400	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(CCC)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[6]C[6])2(CCC){1|C<2>}	120.7185	2.024	4	120.7185	4.095	4	120.2806	1.618	12	119.9312	1.871	36	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(CCN)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[6]C[6])2(CCN){1|C<2>}	119.8155	1.718	2	119.8155	2.950	2	120.2806	1.618	12	119.9312	1.871	36	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(CCO)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[6]C[6])2(CCO){1|C<2>}	119.9035	0.713	2	119.9035	0.509	2	120.2806	1.618	12	119.9312	1.871	36	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(CNN)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[6]C[6])2(CNN){1|C<2>}	120.0365	0.402	2	120.0365	0.162	2	120.2806	1.618	12	119.9312	1.871	36	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(CZrC)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[6]C[6])2(CZrC){1|C<2>}	120.4910	0.441	2	120.4910	0.195	2	120.2806	1.618	12	119.9312	1.871	36	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(NCN)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|N<3>}	C[6](C[6]C[6])2(NCN){1|C<2>}	120.8205	0.388	2	120.8205	0.151	2	119.6661	1.767	8	119.9312	1.871	36	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(NOO)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|N<3>}	C[6](C[6]C[6])2(NOO){1|C<2>}	119.2813	1.317	6	119.2813	1.734	6	119.6661	1.767	8	119.9312	1.871	36	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:P-3:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(PC[6]2)	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|P<3>}	C[6](C[6]C[6])2(PC[6]2){1|C<2>}	120.3203	0.959	10	120.3203	0.919	10	120.3203	0.919	10	119.9312	1.871	36	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:Se-3:	C[6](C[6]C[6]Se)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(SeCd2)	C[6](C[6]C[6]Se)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|Se<3>,1|C<2>}	C[6](C[6]C[6])2(SeCd2){1|C<2>}	118.9377	1.875	6	118.9377	3.516	6	118.9377	3.516	6	119.9312	1.871	36	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:4:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:B-4:	C[6](C[6]C[6]B)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(BC[6]3)	C[6](C[6]C[6]B)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|B<4>,1|C<2>}	C[6](C[6]C[6])2(BC[6]3){1|C<2>}	122.6154	1.023	53	122.6154	1.047	53	122.5789	1.045	55	121.4246	2.746	96	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:4:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:B-4:	C[6](C[6]C[6]B)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(BN[5]3)	C[6](C[6]C[6]B)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|B<4>,1|C<2>}	C[6](C[6]C[6])2(BN[5]3){1|C<2>}	121.6135	0.214	2	121.6135	0.046	2	122.5789	1.045	55	121.4246	2.746	96	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:4:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(CC[6]HS)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|C<4>}	C[6](C[6]C[6])2(CC[6]HS){1|C<2>}	119.8210	0.874	2	119.8210	0.764	2	119.9439	0.116	8	121.4246	2.746	96	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:4:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|C<4>}	C[6](C[6]C[6])2(CH3){1|C<2>}	119.9848	0.043	6	119.9848	0.002	6	119.9439	0.116	8	121.4246	2.746	96	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:4:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:N-4:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(NC3)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|N<4>}	C[6](C[6]C[6])2(NC3){1|C<2>}	118.4420	0.098	2	118.4420	0.010	2	118.4420	0.010	2	121.4246	2.746	96	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	2:2:4:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:P-4:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6])2(PC[6]3)	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|P<4>}	C[6](C[6]C[6])2(PC[6]3){1|C<2>}	119.9511	0.962	31	119.9511	0.925	31	119.9511	0.925	31	121.4246	2.746	96	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:C-1:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6])(C)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6])2{1|Pd<4>,1|C<1>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(C){1|Pd<4>,1|C<2>}	120.3380	0.000	1	120.3380	0.000	1	120.3380	0.000	1	119.9653	1.856	9	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6])2{1|Cl<1>,1|Fe<6>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(Cl){1|Fe<6>,1|C<2>}	118.2830	0.000	1	118.2830	0.000	1	118.8707	0.300	3	119.9653	1.856	9	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]O)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6])2{1|Cl<1>,1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6])(Cl){1|C<2>}	119.1645	0.285	2	119.1645	0.081	2	118.8707	0.300	3	119.9653	1.856	9	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]B)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|B<4>,1|C<3>}	C[6](C[6]C[6])2{1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6])(H){1|C<2>,1|H<1>}	121.5015	2.353	2	121.5015	5.534	2	120.8877	3.898	3	119.9653	1.856	9	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6])2{1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|P<3>}	119.6600	0.000	1	119.6600	0.000	1	120.8877	3.898	3	119.9653	1.856	9	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:C-1:	C[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](N[6]C[6]Au)(C[6]C[6])(C)	C[6](C[6]N[6]C)(C[6]C[6]){1|Au<4>,1|C<3>}	C[6](C[6]C[6])2{1|N<3>,2|C<1>}	C[6](N[6]C[6]Au)(C[6]C[6])(C){1|C<1>,1|C<2>}	120.0375	0.397	2	120.0375	0.157	2	120.0375	0.157	2	119.9653	1.856	9	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[5,6]-3:C[6]-2:C-2:	C[6](C[6]C[5,6]C)(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6])	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]){1|C<2>,1|C<4>}	C[6](C[6]C[5,6])(C[6]C[6]){1|C<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6])(CC){2|C<2>,2|C<3>}	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[5]-3:C[6]-2:C[6]-2:	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[6])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]){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	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>}	120.1410	0.749	4	120.0744	0.348	8	120.0744	0.348	8	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[5]-3:C[6]-2:C[6]-2:	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[6])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]){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	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>}	120.0078	0.488	4	120.0744	0.348	8	120.0744	0.348	8	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[5a]-3:C[6]-2:C[6]-2:	C[6](C[6]C[5a]C[6])(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2	C[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2{1|C<2>,1|N<3>,2|C<3>}	120.6310	0.668	2	120.5670	0.162	4	120.5670	0.162	4	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[5a]-3:C[6]-2:C[6]-2:	C[6](C[6]C[5a]C[6])(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2	C[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2{1|N<2>,2|C<2>,2|C<3>}	120.5030	0.158	2	120.5670	0.162	4	120.5670	0.162	4	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:C-2:	C[6](C[6]C[6,6]C)(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	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]){1|C<2>,1|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<3>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(CN){3|C<2>}	124.3370	0.000	1	124.3370	0.000	1	124.3370	0.000	1	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:N-2:	C[6](C[6]C[6,6]N)(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	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]){1|C<3>,1|N<2>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NC){3|C<2>}	119.3500	0.531	3	119.3500	0.282	3	119.3500	0.282	3	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]O)(C[6]C[6])(CC[6])	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|O<2>}	C[6](C[6]C[6])2{1|C<3>,2|C<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]){2|C<2>}	120.8187	0.784	4	120.8187	0.615	4	121.2077	0.975	11	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>}	121.9936	0.590	5	121.4300	1.159	7	121.2077	0.975	11	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|O<1>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>,1|O<2>}	120.0210	0.062	2	121.4300	1.159	7	121.2077	0.975	11	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:C[6]-2:	C[6](C[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]N[6])(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]C[6]){1|N<3>,2|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6])2{1|C<2>,1|S<4>,2|C<3>}	119.6945	0.052	2	119.6945	0.003	2	119.6945	0.003	2	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:N-2:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]N)(C[6]C[6])(NNi)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|N<2>}	C[6](C[6]C[6])2{1|C<3>,1|N<2>}	C[6](C[6]C[6]N)(C[6]C[6])(NNi){1|C<2>}	110.7022	2.320	6	110.7022	5.384	6	110.7022	5.384	6	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6])(OC){1|C<2>}	120.0765	0.073	2	120.0765	0.005	2	120.0731	1.020	15	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6])(OPd)	C[6](C[6]C[6]O)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6])(OPd){1|C<2>}	121.1500	0.968	4	121.1500	0.937	4	120.0731	1.020	15	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6])(ORh)	C[6](C[6]C[6]O)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6])(ORh){1|C<2>}	120.4970	0.000	1	120.4970	0.000	1	120.0731	1.020	15	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]Cl)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6]){1|Cl<1>,1|C<2>}	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6])(OC){1|C<2>}	119.7685	0.292	2	119.7685	0.085	2	120.0731	1.020	15	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]N)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6]){1|C<3>,1|N<3>}	C[6](C[6]C[6])2{1|C<3>,2|O<2>}	C[6](C[6]C[6]N)(C[6]C[6])(OC){1|C<2>,1|O<2>}	118.8635	0.828	2	118.8635	0.686	2	120.0731	1.020	15	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(OC){1|C<2>}	118.4150	0.000	1	119.4897	0.868	3	120.0731	1.020	15	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]O)(C[6]C[6]){1|C<3>,1|O<1>}	C[6](C[6]C[6])2{1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(OC){2|C<2>}	120.0270	0.054	2	119.4897	0.868	3	120.0731	1.020	15	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6])(ORe)	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|P<4>}	C[6](C[6]C[6])2{1|C<3>,1|O<2>}	C[6](C[6]C[6]P)(C[6]C[6])(ORe){1|C<2>}	120.1130	0.000	1	120.1130	0.000	1	120.0731	1.020	15	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	N[5]-3:C[6]-2:C[6]-2:	C[6](C[6]C[6]N[5])(C[6]C[6])	C[6](C[6]C[6])2	C[6](N[5]C[5]2)(C[6]C[6])2	C[6](C[6]C[6]N[5])(C[6]C[6]){3|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|N<3>}	C[6](N[5]C[5]2)(C[6]C[6])2{1|C<2>,1|N<2>,1|N<3>}	117.2360	1.655	4	117.2361	2.367	10	117.2361	2.367	10	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	N[5]-3:C[6]-2:C[6]-2:	C[6](C[6]C[6]N[5])(C[6]C[6])	C[6](C[6]C[6])2	C[6](N[5]C[5]2)(C[6]C[6])2	C[6](C[6]C[6]N[5])(C[6]C[6]){3|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|N<3>}	C[6](N[5]C[5]2)(C[6]C[6])2{1|C<2>,2|N<3>}	117.2362	1.618	6	117.2361	2.367	10	117.2361	2.367	10	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:C-2:	C[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](N[6]C[6]Cu)(C[6]C[6])(CN)	C[6](C[6]N[6]C)(C[6]C[6]){1|Cu<5>,1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6])(CN){1|C<2>}	120.0075	3.093	4	120.0075	9.566	4	119.5748	8.111	5	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:C-2:	C[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](N[6]C[6]Ni)(C[6]C[6])(CN)	C[6](C[6]N[6]C)(C[6]C[6]){1|Ni<4>,1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6])(CN){1|C<2>}	117.8440	0.000	1	117.8440	0.000	1	119.5748	8.111	5	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:N-2:	C[6](C[6]N[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](N[6]C[6]Ni)(C[6]C[6])(NN)	C[6](C[6]N[6]N)(C[6]C[6]){1|Ni<6>,1|C<2>}	C[6](C[6]C[6])2{1|N<2>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6])(NN){1|C<2>}	119.3170	0.000	1	119.3170	0.000	1	119.3170	0.000	1	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:O-2:	C[6](C[6]N[6]O)(C[6]C[6])	C[6](C[6]C[6])2	C[6](N[6]C[6]Cr)(C[6]C[6])(OCr)	C[6](C[6]N[6]O)(C[6]C[6]){1|Cr<4>,1|C<3>}	C[6](C[6]C[6])2{1|N<3>,1|O<2>,1|P<4>}	C[6](N[6]C[6]Cr)(C[6]C[6])(OCr){1|C<2>,1|P<4>}	118.6875	2.999	4	118.6875	8.995	4	118.6875	8.995	4	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	P-3:C[6]-2:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](PC[6a]C[6])(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|P<3>}	C[6](PC[6a]C[6])(C[6]C[6])2{1|C<2>}	121.1330	0.706	2	121.1330	0.498	2	121.1330	0.498	2	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:N[6]-2:	C[6]-3:C[6]-2:C[6]-2:	C[6](C[6]C[6]2)(C[6]N[6])	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]N[6]){3|C<2>}	C[6](C[6]C[6])(N[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]2)(C[6]C[6])2{1|N<2>,2|C<2>}	117.9277	13.382	3	117.9277	179.069	3	117.9277	179.069	3	118.9004	14.794	76	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:N-3:	C[6](C[6]C[6,6]N)(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NPdC)	C[6](C[6]C[6,6]N)(C[6]C[6]){1|C<3>,1|N<3>}	C[6](C[6]C[6,6])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NPdC){3|C<2>}	120.7530	0.000	1	120.7530	0.000	1	120.7530	0.000	1	119.2547	2.768	25	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]N)(C[6]C[6])(CCC)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|N<2>}	C[6](C[6]C[6])2{3|C<3>}	C[6](C[6]C[6]N)(C[6]C[6])(CCC){1|C<2>,1|C<3>}	120.8855	1.034	2	120.8855	1.070	2	120.5468	0.454	8	119.2547	2.768	25	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	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]){1|C<2>,1|O<2>}	C[6](C[6]C[6])2{2|C<3>}	C[6](C[6]C[6]O)(C[6]C[6])(CC[5a]2){1|C<2>}	119.9750	0.025	2	119.9750	0.001	2	120.5468	0.454	8	119.2547	2.768	25	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]S)(C[6]C[6])(CCC)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|S<2>}	C[6](C[6]C[6])2{3|C<3>}	C[6](C[6]C[6]S)(C[6]C[6])(CCC){1|C<2>,1|C<3>}	120.6633	0.625	4	120.6633	0.391	4	120.5468	0.454	8	119.2547	2.768	25	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[5]C[6])(C[6]C[6])(NOO)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	C[6](C[6]C[5]C[6])(C[6]C[6])(NOO){1|C<3>,2|C<2>}	118.6720	0.000	1	118.6720	0.000	1	119.4401	2.242	8	119.2547	2.768	25	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]Ir)(C[6]C[6])(NCN)	C[6](C[6]C[6]N)(C[6]C[6]){1|Ir<6>,1|C<2>}	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	C[6](C[6]C[6]Ir)(C[6]C[6])(NCN){1|C<2>}	116.4990	0.000	1	116.4990	0.000	1	119.4401	2.242	8	119.2547	2.768	25	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]N)(C[6]C[6])(NSnC)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6])(NSnC){1|C<2>}	119.9738	0.993	5	119.9738	0.986	5	119.4401	2.242	8	119.2547	2.768	25	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]S)(C[6]C[6])(NPdC)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|S<3>}	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	C[6](C[6]C[6]S)(C[6]C[6])(NPdC){1|C<2>}	120.4810	0.000	1	120.4810	0.000	1	119.4401	2.242	8	119.2547	2.768	25	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:S-3:	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]N)(C[6]C[6])(SPd2)	C[6](C[6]C[6]S)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6])2{1|C<3>,1|S<3>}	C[6](C[6]C[6]N)(C[6]C[6])(SPd2){1|C<2>}	119.3050	0.000	1	119.3050	0.000	1	117.5727	1.583	7	119.2547	2.768	25	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:S-3:	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]S)(C[6]C[6])(SCoFe)	C[6](C[6]C[6]S)(C[6]C[6]){1|C<2>,1|S<3>}	C[6](C[6]C[6])2{1|C<3>,1|S<3>}	C[6](C[6]C[6]S)(C[6]C[6])(SCoFe){1|C<2>}	116.6050	0.383	2	116.6050	0.147	2	117.5727	1.583	7	119.2547	2.768	25	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:S-3:	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]S)(C[6]C[6])(SCoW)	C[6](C[6]C[6]S)(C[6]C[6]){1|C<2>,1|S<3>}	C[6](C[6]C[6])2{1|C<3>,1|S<3>}	C[6](C[6]C[6]S)(C[6]C[6])(SCoW){1|C<2>}	117.6235	1.220	4	117.6235	1.489	4	117.5727	1.583	7	119.2547	2.768	25	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:C-3:	C[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]C[6])2	C[6](N[6]C[6]Co)(C[6]C[6])(CNO)	C[6](C[6]N[6]C)(C[6]C[6]){1|Co<6>,1|C<3>}	C[6](C[6]C[6])2{1|N<3>,2|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6])(CNO){1|C<2>,1|C<3>}	117.7110	0.000	1	117.7110	0.000	1	117.7110	0.000	1	119.2547	2.768	25	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:4:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:N-4:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]N)(C[6]C[6])(NH3)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|N<4>}	C[6](C[6]C[6])2{1|C<3>,1|N<4>}	C[6](C[6]C[6]N)(C[6]C[6])(NH3){1|C<2>}	109.8035	5.450	4	109.8035	29.703	4	109.8035	29.703	4	112.0914	48.450	5	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:2:4:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	N[6]-3:C[6]-2:C-4:	C[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]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]){1|B<4>,1|C<2>}	C[6](C[6]C[6])2{1|C<4>,1|N<3>}	C[6](N[6]B[5]C[6])(C[6]C[6])(CB[5]HH){1|C<2>,1|C<4>,2|C<3>}	121.2430	0.000	1	121.2430	0.000	1	121.2430	0.000	1	112.0914	48.450	5	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:3:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[5]-3:C[6]-3:C[6]-2:	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[6])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]){1|C<3>,1|N<3>,2|C<2>}	C[6](C[6]C[6])2{2|C<3>}	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>}	122.7040	0.000	1	122.7040	0.000	1	122.7040	0.000	1	119.1012	2.480	14	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:3:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:N[6]-3:C[6]-2:	C[6](C[6]C[6]N[6])(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<2>}	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]){3|C<2>}	118.8494	1.172	8	118.8494	1.374	8	118.8992	1.097	10	119.1012	2.480	14	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:3:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:N[6]-3:C[6]-2:	C[6](C[6]C[6]N[6])(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6]){1|Pt<4>,1|N<3>,2|C<2>}	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]){1|C<2>,2|C<3>}	119.0985	0.391	2	119.0985	0.153	2	118.8992	1.097	10	119.1012	2.480	14	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:3:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	N[5]-3:C[6]-3:C[6]-2:	C[6](C[6]C[6]N[5])(C[6]C[6])	C[6](C[6]C[6])2	C[6](N[5]C[5]N[5])(C[6]C[6]Ir)(C[6]C[6])	C[6](C[6]C[6]N[5])(C[6]C[6]){1|Ir<6>,1|N<3>,2|C<2>}	C[6](C[6]C[6])2{1|C<3>,1|N<3>}	C[6](N[5]C[5]N[5])(C[6]C[6]Ir)(C[6]C[6]){3|C<2>}	117.4115	0.197	2	117.4115	0.039	2	117.4115	0.039	2	119.1012	2.480	14	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:3:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	P-3:C[6]-3:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	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]){1|C<3>,1|H<1>}	C[6](C[6]C[6])2{1|C<3>,1|H<1>,1|P<3>}	C[6](PC[6a]C[6])(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|H<1>}	120.8980	0.000	1	120.8980	0.000	1	120.8980	0.000	1	119.1012	2.480	14	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:4:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:P-4:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]O)(PC[6]2Re)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6])2{1|C<3>,1|P<4>}	C[6](C[6]C[6]O)(PC[6]2Re)(C[6]C[6]){1|C<2>}	118.5810	0.000	1	118.5810	0.000	1	119.0123	0.140	3	118.9687	3.733	7	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:4:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6]-3:P-4:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[6]C[6]Pt)(PC[6]PtC)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6]){1|Pt<4>,1|C<2>}	C[6](C[6]C[6])2{1|C<3>,1|P<4>}	C[6](C[6]C[6]Pt)(PC[6]PtC)(C[6]C[6]){1|C<2>}	119.2280	0.040	2	119.2280	0.002	2	119.0123	0.140	3	118.9687	3.733	7	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	3:4:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	N[6]-3:P-4:C[6]-2:	C[6](C[6]N[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](N[6]C[6]Cr)(PC[6]2Pt)(C[6]C[6])	C[6](C[6]N[6]P)(C[6]C[6]){1|Cr<4>,1|C<3>}	C[6](C[6]C[6])2{1|N<3>,1|O<2>,1|P<4>}	C[6](N[6]C[6]Cr)(PC[6]2Pt)(C[6]C[6]){1|C<2>,1|O<2>}	118.9360	2.715	4	118.9360	7.370	4	118.9360	7.370	4	118.9687	3.733	7	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	4:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[4]-4:C[6]-2:C[6]-2:	C[6](C[6]C[4]C[6])(C[6]C[6])	C[6](C[6]C[6])2	C[6](C[4]C[4]2C)(C[6]C[6])2	C[6](C[6]C[4]C[6])(C[6]C[6]){1|C<2>,1|C<3>,2|C<4>}	C[6](C[6]C[6])2{1|C<2>,1|C<4>}	C[6](C[4]C[4]2C)(C[6]C[6])2{2|C<2>,2|C<3>,2|H<1>}	120.7465	0.487	2	120.7465	0.237	2	120.7465	0.237	2	118.2389	16.006	134	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	4:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	P-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](PC[6]2Au)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|P<4>}	C[6](PC[6]2Au)(C[6]C[6])2{1|C<2>}	119.6667	3.475	12	119.6667	12.075	12	117.9880	16.171	120	118.2389	16.006	134	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	4:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	P-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](PC[6]2Ir)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|P<4>}	C[6](PC[6]2Ir)(C[6]C[6])2{1|C<2>}	108.4916	1.409	7	108.4916	1.985	7	117.9880	16.171	120	118.2389	16.006	134	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	4:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	P-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](PC[6]2Ni)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|P<4>}	C[6](PC[6]2Ni)(C[6]C[6])2{1|C<2>}	114.1767	4.872	18	114.1767	23.734	18	117.9880	16.171	120	118.2389	16.006	134	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	4:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	P-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](PC[6]2Pd)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|P<4>}	C[6](PC[6]2Pd)(C[6]C[6])2{1|C<2>}	119.3807	1.048	18	119.3807	1.098	18	117.9880	16.171	120	118.2389	16.006	134	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	4:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	P-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](PC[6]2Pt)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|P<4>}	C[6](PC[6]2Pt)(C[6]C[6])2{1|C<2>}	117.3785	2.974	16	117.3785	8.845	16	117.9880	16.171	120	118.2389	16.006	134	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	4:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	P-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](PC[6]2Re)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|P<4>}	C[6](PC[6]2Re)(C[6]C[6])2{1|C<2>}	119.8389	1.019	16	119.8389	1.038	16	117.9880	16.171	120	118.2389	16.006	134	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	4:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	P-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](PC[6]FeC)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|P<4>}	C[6](PC[6]FeC)(C[6]C[6])2{1|C<2>}	120.2196	0.590	20	120.2196	0.348	20	117.9880	16.171	120	118.2389	16.006	134	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	4:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	P-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](PC[6]PtC)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|P<4>}	C[6](PC[6]PtC)(C[6]C[6])2{1|C<2>}	119.9322	1.684	12	119.9322	2.837	12	117.9880	16.171	120	118.2389	16.006	134	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	4:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	P-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2	C[6](PC[6a]ReC)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|C<2>,1|P<4>}	C[6](PC[6a]ReC)(C[6]C[6])2{1|C<2>}	120.0310	0.000	1	120.0310	0.000	1	117.9880	16.171	120	118.2389	16.006	134	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	4:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	P[5]-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]P[5])(C[6]C[6])	C[6](C[6]C[6])2	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]){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6])2{1|C<2>,1|P<4>}	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>}	114.1040	3.346	2	114.1040	11.196	2	114.1040	11.196	2	118.2389	16.006	134	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	4:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	Si-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]Si)(C[6]C[6])	C[6](C[6]C[6])2	C[6](SiC[6]2O)(C[6]C[6])2	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|Si<4>,1|C<2>}	C[6](SiC[6]2O)(C[6]C[6])2{1|C<2>}	121.1035	1.781	6	121.1035	3.173	6	121.5743	3.052	10	118.2389	16.006	134	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	2:2:	4:2:2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	Si-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]Si)(C[6]C[6])	C[6](C[6]C[6])2	C[6](SiC[6]CO)(C[6]C[6])2	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])2{1|Si<4>,1|C<2>}	C[6](SiC[6]CO)(C[6]C[6])2{1|C<2>}	122.2805	1.661	4	122.2805	2.759	4	121.5743	3.052	10	118.2389	16.006	134	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:Br-1:	C[6](C[6]C[6]Br)(C[6]C[5,6])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[5,6]){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]){1|Br<1>,1|C<2>,3|C<3>}	C[6](C[6]C[5,6])(C[6]C[6])(Br){2|C<3>}	122.2810	0.000	1	122.2810	0.000	1	122.2810	0.000	1	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Br<1>,1|C<2>}	C[6](C[6]C[6])2(Br){1|C<3>}	118.1185	1.249	4	118.4428	1.190	6	118.7235	1.201	8	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Br<1>,1|C<2>}	C[6](C[6]C[6])2(Br){1|C<3>}	119.0915	0.098	2	118.4428	1.190	6	118.7235	1.201	8	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|N<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|Br<1>,1|C<2>}	C[6](C[6]C[6])2(Br){1|C<3>}	119.5655	0.750	2	119.5655	0.563	2	118.7235	1.201	8	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-1:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<1>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<1>,1|C<2>}	C[6](C[6]C[6])2(C){1|C<3>}	120.2310	3.997	2	120.2310	15.973	2	120.9679	1.019	29	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-1:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|N<4>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<1>,1|C<2>,1|P<4>}	C[6](C[6]C[6])2(C){1|C<3>,1|P<4>}	119.9700	0.045	2	119.9700	0.002	2	120.9679	1.019	29	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-1:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|S<4>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	C[6](C[6]C[6])2(C){1|C<3>}	121.0681	0.594	24	121.1066	0.375	25	120.9679	1.019	29	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-1:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|S<3>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>,1|S<3>}	C[6](C[6]C[6])2(C){1|C<3>,1|S<3>}	122.0320	0.000	1	121.1066	0.375	25	120.9679	1.019	29	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[6])2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|C<3>}	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[6](C[6]C[6])2(Cl){1|C<3>}	118.2455	0.266	4	118.2455	0.071	4	118.7180	0.904	8	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Cl<1>,1|C<2>}	C[6](C[6]C[6])2(Cl){1|C<3>}	118.6675	1.242	2	118.6675	1.544	2	118.7180	0.904	8	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|N<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|Cl<1>,1|C<2>}	C[6](C[6]C[6])2(Cl){1|C<3>}	119.7135	1.302	2	119.7135	1.695	2	118.7180	0.904	8	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:D-1:	C[6](C[6]C[6]D)(C[6]C[6])	C[6](C[6]C[6]D)(C[6]C[6])	C[6](C[6]C[6])2(D)	C[6](C[6]C[6]D)(C[6]C[6]){1|C<2>,1|D<1>}	C[6](C[6]C[6]D)(C[6]C[6]){1|C<2>,1|D<1>}	C[6](C[6]C[6])2(D){1|C<3>}	120.0627	0.191	3	120.0627	0.037	3	120.0627	0.037	3	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:F-1:	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6]Au)(C[6]C[6])	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)(C[6]C[6]){1|Au<2>,1|C<2>}	C[6](C[6]C[6]Au)(C[6]C[6]){1|C<2>,1|F<1>}	C[6](C[6]C[6])2(F){1|C<3>}	117.7875	0.486	2	117.7980	0.107	4	117.5320	0.204	9	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:F-1:	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6]Au)(C[6]C[6])	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)(C[6]C[6]){1|Au<4>,1|C<2>}	C[6](C[6]C[6]Au)(C[6]C[6]){1|C<2>,1|F<1>}	C[6](C[6]C[6])2(F){1|C<3>}	117.8085	0.291	2	117.7980	0.107	4	117.5320	0.204	9	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:F-1:	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|F<1>}	C[6](C[6]C[6])2(F){1|C<3>}	117.4562	0.377	4	117.3192	0.201	5	117.5320	0.204	9	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:F-1:	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)(C[6]C[6]){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,2|F<1>}	C[6](C[6]C[6])2(F){1|C<3>,1|F<1>}	116.7710	0.000	1	117.3192	0.201	5	117.5320	0.204	9	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	120.2850	0.000	1	120.2850	0.000	1	119.8698	1.855	5	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6])2(H){1|C<3>,1|N<3>}	118.4630	0.000	1	118.4630	0.000	1	119.8698	1.855	5	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]Se)(C[6]C[6])	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|Se<3>,1|C<3>}	C[6](C[6]C[6]Se)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	121.8210	0.000	1	121.8210	0.000	1	119.8698	1.855	5	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6])	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6]){2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	120.0980	0.000	1	120.0980	0.000	1	119.8698	1.855	5	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]N[6]H)(C[6]C[6])	C[6](C[6]C[6])(C[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<2>}	C[6](C[6]N[6]H)(C[6]C[6]){1|C<2>,1|H<1>}	C[6](C[6]C[6])(C[6]N[6])(H){1|C<3>}	118.6820	0.000	1	118.6820	0.000	1	119.8698	1.855	5	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6]){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<2>}	C[6](C[6]C[6])(N[6]C[6])(H){1|C<3>}	119.0980	0.000	1	119.0980	0.000	1	119.0980	0.000	1	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	N[6]-3:C[6]-2:	C[6]-2:N[6]-2:N-1:	C[6](C[6]N[6]N)(C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6])(N)	C[6](C[6]N[6]N)(C[6]N[6]){2|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]){1|C<2>,1|N<1>,1|N<2>,1|O<1>,1|O<2>}	C[6](C[6]C[6])(N[6]C[6])(N){1|N<3>,1|O<1>}	119.3530	0.000	1	119.3530	0.000	1	119.3530	0.000	1	119.7793	2.562	65	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:Br-2:	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(BrC)	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Br<2>,1|C<2>}	C[6](C[6]C[6])2(BrC){1|C<3>}	117.2545	0.680	4	117.2545	0.462	4	117.2545	0.462	4	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[6])2(CN)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|C<3>,1|N<2>,2|C<2>}	C[6](C[6]C[6])2(CN){1|C<3>}	119.0155	0.175	8	119.0155	0.030	8	120.0067	1.961	14	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6])2(CC)	C[6](C[6]C[6]C)(C[6]C[6]){1|Br<1>,1|C<2>}	C[6](C[6]C[6]Br)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6])2(CC){1|C<3>}	122.3465	1.238	2	122.3465	1.533	2	120.0067	1.961	14	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6])2(CO)	C[6](C[6]C[6]C)(C[6]C[6]){1|Cl<1>,1|C<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6])2(CO){1|C<3>}	120.7750	1.512	2	120.7750	2.286	2	120.0067	1.961	14	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2(CC)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6])2(CC){1|C<3>}	120.8635	0.069	2	120.8635	0.005	2	120.0067	1.961	14	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:N-2:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6])2(NN)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]){1|N<2>,3|C<2>}	C[6](C[6]C[6])2(NN){1|C<3>}	116.5655	1.100	2	116.5655	1.209	2	119.5588	3.251	10	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:N-2:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6])2(NC)	C[6](C[6]C[6]N)(C[6]C[6]){1|Br<1>,1|C<2>}	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|N<2>}	C[6](C[6]C[6])2(NC){1|C<3>}	119.4765	0.671	2	119.4765	0.450	2	119.5588	3.251	10	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:N-2:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]Cl)(C[6]C[6])	C[6](C[6]C[6])2(NC)	C[6](C[6]C[6]N)(C[6]C[6]){1|Cl<1>,1|C<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|N<2>}	C[6](C[6]C[6])2(NC){1|C<3>}	120.4500	1.447	2	120.4500	2.093	2	119.5588	3.251	10	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:N-2:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2(NC)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|N<2>}	C[6](C[6]C[6])2(NC){1|C<3>}	120.5170	1.044	2	120.5170	1.089	2	119.5588	3.251	10	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:N-2:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2(NRu)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|N<2>}	C[6](C[6]C[6])2(NRu){1|C<3>}	120.7850	0.222	2	120.7850	0.049	2	119.5588	3.251	10	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[4]C[6])(C[6]C[6])	C[6](C[6]C[6])2(OC)	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<4>}	C[6](C[6]C[4]C[6])(C[6]C[6]){1|C<4>,1|H<1>,1|O<2>,2|C<2>}	C[6](C[6]C[6])2(OC){1|C<3>}	119.7755	1.060	4	119.7755	1.124	4	119.8640	0.757	23	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(OC)	C[6](C[6]C[6]O)(C[6]C[6]){2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6])2(OC){1|C<3>}	119.7865	0.353	2	119.7865	0.125	2	119.8640	0.757	23	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(OC)	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|N<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6])2(OC){1|C<3>}	120.1345	0.911	4	120.0932	0.341	11	119.8640	0.757	23	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(OC)	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6])2(OC){1|C<3>}	120.0696	0.389	7	120.0932	0.341	11	119.8640	0.757	23	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6])2(OC)	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|P<4>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6])2(OC){1|C<3>}	119.5287	1.300	6	119.5287	1.691	6	119.8640	0.757	23	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:S-2:	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(SRe)	C[6](C[6]C[6]S)(C[6]C[6]){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|H<1>,1|S<2>}	C[6](C[6]C[6])2(SRe){1|C<3>,1|H<1>}	120.3180	0.000	1	120.3180	0.000	1	120.3180	0.000	1	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:N[6]-2:C-2:	C[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6])(CN)	C[6](C[6]N[6]C)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<4>,1|N<2>}	C[6](C[6]C[6])(N[6]C[6])(CN){1|C<3>,1|C<4>}	120.0860	0.000	1	120.0860	0.000	1	120.0860	0.000	1	119.6599	1.910	53	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6])2(CC[5]C)	C[6](C[6]C[6]C)(C[6]C[6]){1|Br<1>,1|C<2>}	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6])2(CC[5]C){1|C<3>}	121.0348	1.107	4	121.0348	1.226	4	120.6619	1.689	26	120.6007	1.607	50	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(COO)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6])2(COO){1|C<3>}	120.1620	0.347	4	120.1620	0.121	4	120.6619	1.689	26	120.6007	1.607	50	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6])2(CBrC)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6])2(CBrC){1|C<3>}	119.9840	0.636	4	119.9840	0.405	4	120.6619	1.689	26	120.6007	1.607	50	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(CC[6]C)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6])2(CC[6]C){1|C<3>}	121.7896	1.511	8	121.7896	2.284	8	120.6619	1.689	26	120.6007	1.607	50	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6])2(COO)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6])2(COO){1|C<3>}	120.1450	0.634	2	120.1450	0.401	2	120.6619	1.689	26	120.6007	1.607	50	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]Si)(C[6]C[6])	C[6](C[6]C[6])2(COO)	C[6](C[6]C[6]C)(C[6]C[6]){1|Si<4>,1|C<2>}	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6])2(COO){1|C<3>}	119.4700	0.519	4	119.4700	0.269	4	120.6619	1.689	26	120.6007	1.607	50	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[6])2(NC[6]2)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]){1|N<3>,1|S<2>,2|C<2>}	C[6](C[6]C[6])2(NC[6]2){1|C<3>}	120.8160	0.153	4	120.8160	0.023	4	120.5343	1.579	24	120.6007	1.607	50	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(NCC)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6])2(NCC){1|C<3>}	121.0883	1.567	8	121.0883	2.455	8	120.5343	1.579	24	120.6007	1.607	50	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(NRhC)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6])2(NRhC){1|C<3>}	119.2345	0.438	2	119.2345	0.192	2	120.5343	1.579	24	120.6007	1.607	50	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6])	C[6](C[6]C[6])2(NOO)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|N<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>}	C[6](C[6]C[6])2(NOO){1|C<3>}	118.1505	0.428	2	118.1505	0.183	2	120.5343	1.579	24	120.6007	1.607	50	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6])2(NC[6]2)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]C[6])2(NC[6]2){1|C<3>}	120.7605	0.328	8	120.7605	0.108	8	120.5343	1.579	24	120.6007	1.607	50	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6])	C[6](C[6]C[6])2(CF3)	C[6](C[6]C[6]C)(C[6]C[6]){1|Br<2>,1|C<2>}	C[6](C[6]C[6]Br)(C[6]C[6]){1|C<2>,1|C<4>}	C[6](C[6]C[6])2(CF3){1|C<3>}	119.7750	0.346	4	119.7750	0.120	4	119.7750	0.120	4	119.6788	1.507	32	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:S-4:	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(SCOO)	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|S<4>}	C[6](C[6]C[6])2(SCOO){1|C<3>}	118.7850	0.253	2	118.7850	0.064	2	119.1203	0.511	22	119.6788	1.507	32	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:S-4:	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(SNOO)	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|S<4>}	C[6](C[6]C[6])2(SNOO){1|C<3>}	118.8850	0.523	2	118.8850	0.274	2	119.1203	0.511	22	119.6788	1.507	32	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:S-4:	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(SN[5]OO)	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|S<4>}	C[6](C[6]C[6])2(SN[5]OO){1|C<3>}	119.0137	0.350	6	119.0137	0.122	6	119.1203	0.511	22	119.6788	1.507	32	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:S-4:	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(SO3)	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|S<4>}	C[6](C[6]C[6])2(SO3){1|C<3>}	119.2687	0.911	12	119.2687	0.829	12	119.1203	0.511	22	119.6788	1.507	32	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:Si-4:	C[6](C[6]C[6]Si)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6])2(SiCCO)	C[6](C[6]C[6]Si)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|Si<4>,1|C<2>}	C[6](C[6]C[6])2(SiCCO){1|C<3>}	122.0900	0.474	4	122.0900	0.225	4	122.0900	0.225	4	119.6788	1.507	32	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	2:2:4:	C[6]-3:C[6]-2:	N[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]N[6])	C[6](N[6]C[6]Ni)(C[6]C[6])	C[6](C[6]C[6])2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]){1|Ni<4>,1|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6])2(CC3){1|C<3>,1|N<3>}	120.8080	1.498	2	120.8080	2.243	2	120.8080	2.243	2	119.6788	1.507	32	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]As)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|As<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	120.4760	0.000	1	120.4760	0.000	1	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(H){2|C<3>}	120.2650	0.000	1	120.2650	0.000	1	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,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[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|O<2>}	118.8820	0.000	1	120.3384	0.892	5	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	120.2305	0.159	2	120.3384	0.892	5	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	121.1745	0.046	2	120.3384	0.892	5	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){1|H<1>,3|C<3>}	121.5190	0.000	1	121.5190	0.000	1	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6])(H){1|H<1>,4|C<3>}	117.4210	0.000	1	117.4210	0.000	1	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|Te<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Te<5>,1|C<3>}	118.0820	0.000	1	118.7880	0.997	2	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|Rh<5>,1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Rh<5>,1|C<3>,1|H<1>}	119.4940	0.000	1	118.7880	0.997	2	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[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]){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>}	119.6060	0.168	2	118.6657	6.215	7	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[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]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	117.9827	3.312	4	118.6657	6.215	7	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[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]){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	119.5170	0.000	1	118.6657	6.215	7	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>}	121.4340	0.000	1	120.6475	1.237	2	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|N<3>}	119.8610	0.000	1	120.6475	1.237	2	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|H<1>}	120.8760	0.454	2	120.8760	0.206	2	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,1|S<2>}	120.4120	0.710	2	120.4120	0.504	2	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]Te)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|Te<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Te)(C[6]C[6])(H){1|C<2>,1|C<3>}	123.2470	0.000	1	123.2470	0.000	1	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]P)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	120.8670	0.000	1	120.8670	0.000	1	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]N[5a]C[6])(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	120.5890	0.000	1	120.5890	0.000	1	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<4>,1|N<2>}	C[6](C[6]N[6]C)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(C[6]C[6])(H){1|C<3>}	120.4890	0.000	1	120.4890	0.000	1	119.9526	3.095	28	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	N[6]-3:C[6]-2:	C[6,6a]-3:C[6]-2:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6])	C[6](N[6]C[6,6a]Cu)(C[6]C[6])	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]){1|Cu<6>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]){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>,2|C<3>}	120.4960	0.000	1	120.4960	0.000	1	120.4960	0.000	1	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	N[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6])	C[6](N[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]){1|C<2>,2|H<1>}	C[6](N[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>}	119.3670	0.000	1	119.3670	0.000	1	119.1140	0.128	2	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	N[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6])	C[6](N[6]C[6]Zn)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,1|N<3>}	118.8610	0.000	1	118.8610	0.000	1	119.1140	0.128	2	119.9160	2.845	31	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[5]-3:C[6]-2:C[6]-2:	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	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]){1|C<3>,1|N<2>,2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6])2{2|C<3>,2|N<2>}	119.9521	0.368	8	119.9521	0.136	8	120.4461	0.476	16	120.8899	2.794	23	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[5]-3:C[6]-2:C[6]-2:	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[6]Cl)(C[6]C[6])	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]){1|Cl<1>,1|C<2>,1|C<3>,1|N<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6])2{2|C<3>,2|N<2>}	120.4755	0.351	4	120.4755	0.123	4	120.4461	0.476	16	120.8899	2.794	23	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[5]-3:C[6]-2:C[6]-2:	C[6](C[6]C[5]C[6])(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	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]){1|N<3>,1|S<2>,2|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[5]C[5]S[5])(C[6]C[6])2{3|C<3>}	121.4045	0.254	4	121.4045	0.065	4	120.4461	0.476	16	120.8899	2.794	23	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<3>,1|H<1>}	122.7310	0.000	1	122.7310	0.000	1	122.7310	0.000	1	120.8899	2.794	23	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C[6]-2:	C[6](C[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]C[6]){1|N<2>,3|C<2>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]2)(C[6]C[6])2{3|C<3>}	122.1730	1.310	2	122.1730	1.715	2	122.1730	1.715	2	120.8899	2.794	23	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	N[6]-3:C[6]-2:C[6]-2:	C[6](C[6]C[6]N[6])(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	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]){1|C<2>,1|C<3>,1|N<3>,1|S<4>}	C[6](C[6]C[6]N)(C[6]C[6]){1|C<2>,1|N<3>}	C[6](N[6]C[6]S[6])(C[6]C[6])2{1|C<2>,2|O<1>,3|C<3>}	120.3675	0.520	2	120.3675	0.270	2	120.3675	0.270	2	120.8899	2.794	23	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:	N[6]-3:C[6]-2:	C[6]-3:C[6]-2:C[6]-2:	C[6](C[6]C[6]2)(C[6]N[6])	C[6](N[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]2)(C[6]N[6]){4|C<2>}	C[6](N[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]2)(C[6]C[6])2{1|N<3>,2|C<2>}	122.7590	5.914	2	122.7590	34.978	2	122.7590	34.978	2	120.8899	2.794	23	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6])(CHH)	C[6](C[6]C[6]C)(C[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6])(CHH){2|C<3>,2|C<4>}	122.1500	0.000	1	122.1500	0.000	1	121.2967	0.547	3	120.7447	2.394	6	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,1|H<1>}	120.8370	0.000	1	120.8370	0.000	1	121.2967	0.547	3	120.7447	2.394	6	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	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]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]C){1|C<3>,1|H<1>}	120.9030	0.000	1	120.9030	0.000	1	121.2967	0.547	3	120.7447	2.394	6	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[5a]C[6])(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(NCC)	C[6](C[6]C[6]N)(C[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(NCC){1|C<3>,1|H<1>}	122.5170	0.000	1	122.5170	0.000	1	122.5170	0.000	1	120.7447	2.394	6	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:S-3:	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]S)(C[6]C[6])(SFe2)	C[6](C[6]C[6]S)(C[6]C[6]){1|C<1>,1|C<2>,1|S<3>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|S<3>}	C[6](C[6]C[6]S)(C[6]C[6])(SFe2){1|C<3>}	118.3440	0.000	1	118.3440	0.000	1	118.3440	0.000	1	120.7447	2.394	6	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:3:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:Se-3:	C[6](C[6]C[6]Se)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(SeRe2)	C[6](C[6]C[6]Se)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|Se<3>,1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(SeRe2){1|C<3>}	119.7170	0.000	1	119.7170	0.000	1	119.7170	0.000	1	120.7447	2.394	6	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]F)(C[6]C[6])	C[6](C[6]C[6]F)(C[6]C[6])(CCCO)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,2|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]){1|C<3>,1|C<4>}	C[6](C[6]C[6]F)(C[6]C[6])(CCCO){1|C<3>}	121.7500	0.000	1	121.7500	0.000	1	121.2628	0.513	6	120.8796	0.902	8	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(CCHO)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCHO){1|C<3>,1|H<1>}	120.6100	0.000	1	120.6100	0.000	1	121.2628	0.513	6	120.8796	0.902	8	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,1|H<1>}	120.3440	0.000	1	120.3440	0.000	1	121.2628	0.513	6	120.8796	0.902	8	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(CHHP)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6])(CHHP){1|C<3>}	121.6050	0.000	1	121.6050	0.000	1	121.2628	0.513	6	120.8796	0.902	8	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<2>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>}	122.2110	0.000	1	121.6340	0.666	2	121.2628	0.513	6	120.8796	0.902	8	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]S)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|H<1>}	121.0570	0.000	1	121.6340	0.666	2	121.2628	0.513	6	120.8796	0.902	8	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:N-4:	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6])(NIrCC)	C[6](C[6]C[6]N)(C[6]C[6]){1|C<1>,1|C<2>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|N<4>}	C[6](C[6]C[6]P)(C[6]C[6])(NIrCC){1|C<3>}	120.0650	0.000	1	120.0650	0.000	1	120.0650	0.000	1	120.8796	0.902	8	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:2:4:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:S-4:	C[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6])	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]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO){1|C<3>,1|H<1>}	119.3950	0.000	1	119.3950	0.000	1	119.3950	0.000	1	120.8796	0.902	8	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:3:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[5a]-3:C[6]-3:C[6]-2:	C[6](C[6]C[5a]C[6])(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]){1|H<1>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]C[6]){2|H<1>,3|C<3>}	121.0170	0.000	1	121.0170	0.000	1	121.0170	0.000	1	120.5583	0.603	4	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:3:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-3:As-3:C[6]-2:	C[6](C[6]C[6]As)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6])	C[6](C[6]C[6]As)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|As<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6]){1|C<3>,1|H<1>}	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	120.5583	0.603	4	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:3:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6a]-3:C[6]-3:C[6]-2:	C[6](C[6]C[6a]C[6])(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6]){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|Te<2>,1|H<1>,3|C<3>}	121.4020	0.000	1	121.4020	0.000	1	121.4020	0.000	1	120.5583	0.603	4	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	3:3:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	N[5a]-3:C[6]-3:C[6]-2:	C[6](C[6]N[5a]C[6])(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	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]){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|N<3>}	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>}	120.0450	0.000	1	120.0450	0.000	1	120.0450	0.000	1	120.5583	0.603	4	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	4:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-4:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]RhH)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|Rh<5>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]RhH)(C[6]C[6])(H){2|C<3>}	119.3940	0.000	1	119.3940	0.000	1	120.6345	3.078	2	120.6345	3.078	2	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	4:2:1:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-4:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	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]){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6])(H){4|C<3>}	121.8750	0.000	1	121.8750	0.000	1	120.6345	3.078	2	120.6345	3.078	2	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	4:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[4]-4:C[6]-2:C[6]-2:	C[6](C[6]C[4]C[6])(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])	C[6](C[4]C[4]2H)(C[6]C[6])2	C[6](C[6]C[4]C[6])(C[6]C[6]){1|C<4>,1|H<1>,1|O<2>,2|C<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<4>}	C[6](C[4]C[4]2H)(C[6]C[6])2{1|C<4>,3|C<3>}	121.8330	0.834	4	121.8330	0.695	4	121.8330	0.695	4	121.3673	0.839	10	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	4:2:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	P-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])	C[6](PC[6]2Fe)(C[6]C[6])2	C[6](C[6]C[6]P)(C[6]C[6]){1|C<2>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]){1|C<2>,1|P<4>}	C[6](PC[6]2Fe)(C[6]C[6])2{1|C<3>}	121.0568	0.897	6	121.0568	0.805	6	121.0568	0.805	6	121.3673	0.839	10	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	3:2:	4:3:2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	P-4:C[6]-3:C[6]-2:	C[6](C[6]C[6]P)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])	C[6](PC[6a]RuC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]P)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]RuC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	120.5300	0.000	1	120.5300	0.000	1	120.5300	0.000	1	120.5300	0.000	1	119.6915	7.856	741	119.6843	8.223	780
206	206	762	6:SP1_SP1_SP2	C[6]	C[6]	C[6]	3:2:	4:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-4:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]HP)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>}	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1	119.6915	7.856	741	119.6843	8.223	780
206	206	818	6:SP1_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:	2:2:	3:2:2:	C[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[5,6]-3:C[6]-2:N[5]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6])(N[5]N[5])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]){1|C<2>,2|N<2>}	C[6](C[6]C[5,6])(C[6]C[6]){1|C<3>,1|N<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6])(N[5]N[5]){1|C<2>}	115.0940	0.107	2	115.0940	0.012	2	115.0940	0.012	2	115.0940	0.012	2	116.9840	2.201	10	116.9840	2.201	10
206	206	818	6:SP1_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:	2:2:	3:3:2:	C[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[5,6]-3:C[5]-3:C[6]-2:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]){1|C<3>,1|N<3>,2|C<2>}	C[6](C[6]C[5,6])(C[6]C[6]){2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]C)(C[6]C[6]){1|C<2>,1|O<1>,1|S<4>}	117.8530	0.057	2	117.8530	0.003	2	117.6505	0.083	4	117.5343	1.754	7	116.9840	2.201	10	116.9840	2.201	10
206	206	818	6:SP1_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:	2:2:	3:3:2:	C[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[5,6]-3:C[5]-3:C[6]-2:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(C[6]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]){1|C<2>,1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6])(C[6]C[6]){2|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]O)(C[6]C[6]){1|S<4>,2|C<2>}	117.4480	0.288	2	117.4480	0.083	2	117.6505	0.083	4	117.5343	1.754	7	116.9840	2.201	10	116.9840	2.201	10
206	206	818	6:SP1_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:	2:2:	3:3:2:	C[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[5,6]-3:N[5]-3:C[6]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6])	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5,6])(C[6]C[6]){1|C<3>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6]){1|Pd<4>,2|C<2>}	115.9670	0.000	1	116.0805	0.026	2	116.0805	0.026	2	117.5343	1.754	7	116.9840	2.201	10	116.9840	2.201	10
206	206	818	6:SP1_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:	2:2:	3:3:2:	C[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[5,6]-3:N[5]-3:C[6]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6])	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]){1|C<3>,1|N<3>,2|C<2>}	C[6](C[6]C[5,6])(C[6]C[6]){1|C<3>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]C)(C[6]C[6]){1|Pd<4>,1|C<2>,1|C<4>}	116.1940	0.000	1	116.0805	0.026	2	116.0805	0.026	2	117.5343	1.754	7	116.9840	2.201	10	116.9840	2.201	10
206	206	818	6:SP1_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:	2:2:	3:3:2:	C[5,6]-3:C[6]-2:	C[6]-2:C[6]-2:	N[5,6]-3:C[5]-3:C[6]-2:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6])	C[6](C[6]C[5,6])(C[6]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C[6])(C[6]C[6])	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]){2|C<2>,2|C<3>}	C[6](C[6]C[5,6])(C[6]C[6]){1|C<3>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C[6])(C[6]C[6]){2|C<2>,2|C<3>}	119.9770	0.000	1	119.9770	0.000	1	119.9770	0.000	1	117.5343	1.754	7	116.9840	2.201	10	116.9840	2.201	10
206	206	818	6:SP1_SP1_SP2	C[6]	C[6]	C[5,6]	3:2:	3:2:	3:3:2:	C[5,6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[5,6]-3:N[5]-3:C[6]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[5,6])	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C[6])(C[6]C[6])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]){1|Br<1>,1|C<2>,3|C<3>}	C[6](C[6]C[6]Br)(C[6]C[5,6]){1|C<3>,1|N<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C[6])(C[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|N<2>}	116.9120	0.000	1	116.9120	0.000	1	116.9120	0.000	1	116.9120	0.000	1	116.9840	2.201	10	116.9840	2.201	10
206	206	856	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	3:2:	2:2:	4:3:2:	N[6]-3:C[6]-2:	C[6]-2:C[6]-2:	B[5]-4:C[6]-3:C[6]-2:	C[6](N[6]B[5]C[6])(C[6]C[6])	C[6](C[6]C[6])(C[6]N[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]){1|C<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6])(C[6]N[6]){1|B<4>,1|C<3>}	N[6](B[5]C[5,6a]2C)(C[6]C[6]C)(C[6]C[6]){1|C<2>,4|C<3>}	123.2700	0.000	1	123.2700	0.000	1	123.2700	0.000	1	123.2700	0.000	1	121.5612	2.400	5	121.5612	2.400	5
206	206	856	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	3:2:	3:2:	2:2:1:	N[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:H-1:	C[6](N[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]N[6])	N[6](C[6]C[6])2(H)	C[6](N[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]){1|C<2>,2|H<1>}	N[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	119.1330	0.000	1	119.1330	0.000	1	119.1330	0.000	1	119.1330	0.000	1	121.5612	2.400	5	121.5612	2.400	5
206	206	856	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	3:2:	3:2:	3:3:2:	N[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[5]-3:C[6]-3:C[6]-2:	C[6](N[6]C[5]C[6])(C[6]C[6])	C[6](C[6]N[6]N)(C[6]N[6])	N[6](C[5]C[5]O[5])(C[6]N[6]O)(C[6]C[6])	C[6](N[6]C[5]C[6])(C[6]C[6]){1|C<2>,1|N<1>,1|N<2>,1|O<1>,1|O<2>}	C[6](C[6]N[6]N)(C[6]N[6]){2|C<3>}	N[6](C[5]C[5]O[5])(C[6]N[6]O)(C[6]C[6]){1|S<2>,2|C<3>}	122.0630	0.000	1	122.0630	0.000	1	122.0630	0.000	1	122.0630	0.000	1	121.5612	2.400	5	121.5612	2.400	5
206	206	856	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	3:2:	4:2:	3:2:1:	N[6]-3:C[6]-2:	C[6]-4:C[6]-2:	C[6]-3:C[6]-2:C-1:	C[6](N[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]OU)(C[6]N[6])	N[6](C[6]C[6]C)(C[6]C[6])(C)	C[6](N[6]C[6]C)(C[6]C[6]){1|U<12>,1|C<1>,1|C<4>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]N[6]){1|C<1>,1|C<3>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6])(C){1|U<12>,1|C<4>,1|O<2>}	121.6700	0.714	2	121.6700	0.510	2	121.6700	0.510	2	121.6700	0.510	2	121.5612	2.400	5	121.5612	2.400	5
206	206	856	6:SP1_SP1_SP3	C[6,6]	C[6,6]	N[3x6]	3:2:	3:2:	2:2:2:	N[3x6]-3:C[6,6]-2:	N[3x6]-3:C[6,6]-2:	C[6,6]-2:C[6,6]-2:C[6,6]-2:	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6])	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6])	N[3x6](C[6,6]C[6,6])3	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6]){2|C<2>}	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6]){2|C<2>}	N[3x6](C[6,6]C[6,6])3{1|N<3>}	109.6134	2.119	10	109.6134	4.491	10	109.6134	4.491	10	109.6134	4.491	10	109.6134	4.491	10	110.9944	17.005	18
206	206	856	6:SP1_SP1_SP3	C[6]	C[6]	N[6]	3:2:	2:2:	2:2:2:	N[6]-3:C[6]-2:	C[6]-2:O[6]-2:	C[6]-2:C[6]-2:C-2:	C[6](N[6]C[6]C)(C[6]O[6])	C[6](C[6]N[6])(O[6]C[6])	N[6](C[6]C[6])2(CC)	C[6](N[6]C[6]C)(C[6]O[6]){1|C<2>}	C[6](C[6]N[6])(O[6]C[6]){2|C<2>}	N[6](C[6]C[6])2(CC){1|O<2>}	108.9153	0.450	4	108.9153	0.202	4	108.9153	0.202	4	108.9153	0.202	4	112.7207	29.393	8	110.9944	17.005	18
206	206	856	6:SP1_SP1_SP3	C[6]	C[6]	N[6]	3:2:	3:2:	2:2:2:	N[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-2:	C[6](N[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6])	N[6](C[6]C[6])2(CC)	C[6](N[6]C[6]C)(C[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]){4|C<2>}	N[6](C[6]C[6])2(CC){1|C<3>}	120.7195	4.347	2	120.7195	18.893	2	120.7195	18.893	2	120.7195	18.893	2	112.7207	29.393	8	110.9944	17.005	18
206	206	856	6:SP1_SP1_SP3	C[6]	C[6]	N[6]	3:2:	4:2:	2:2:4:	N[6]-3:C[6]-2:	P[6]-4:C[6]-2:	C[6]-2:C[6]-2:C-4:	C[6](N[6]C[6]C)(C[6]P[6])	C[6](P[6]C[6a]C[6]Fe)(C[6]N[6])	N[6](C[6]C[6])2(CH3)	C[6](N[6]C[6]C)(C[6]P[6]){1|Fe<5>,1|C<2>,1|C<3>}	C[6](P[6]C[6a]C[6]Fe)(C[6]N[6]){1|C<2>,1|C<4>,2|C<3>}	N[6](C[6]C[6])2(CH3){1|P<4>}	112.3330	0.247	2	112.3330	0.061	2	112.3330	0.061	2	112.3330	0.061	2	112.7207	29.393	8	110.9944	17.005	18
206	206	902	6:SP1_SP1_SP2	C[6]	C[6]	C[3,6]	3:2:	2:2:	3:2:2:	C[3,6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[3,6]-3:C[3]-2:C[6]-2:	C[6](C[3,6]C[3,6]C[3])(C[6]C[6])	C[6](C[6]C[3,6])(C[6]C[6])	C[3,6](C[3,6]C[3]C[6])(C[3]C[3,6])(C[6]C[6])	C[6](C[3,6]C[3,6]C[3])(C[6]C[6]){1|C<2>}	C[6](C[6]C[3,6])(C[6]C[6]){1|C<2>,1|C<3>}	C[3,6](C[3,6]C[3]C[6])(C[3]C[3,6])(C[6]C[6]){1|C<2>}	132.3830	0.000	1	132.3830	0.000	1	132.3830	0.000	1	132.3830	0.000	1	132.3830	0.000	1	132.3830	0.000	1
206	206	914	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	2:2:	2:2:	2:2:	C[6]-2:N[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]C[6])(C[6]N[6])	N[6](C[6]C[6])2	C[6](C[6]C[6])(N[6]C[6]){1|C<2>}	C[6](C[6]C[6])(C[6]N[6]){1|C<2>}	N[6](C[6]C[6])2{1|C<2>}	118.7916	4.108	33	118.8359	16.433	34	118.8691	15.516	36	116.1504	29.262	51	117.3139	35.677	77	117.3139	35.677	77
206	206	914	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	2:2:	2:2:	2:2:	C[6]-2:N[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]C[6])(C[6]N[6])	N[6](C[6]C[6])2	C[6](C[6]C[6])(N[6]C[6]){1|C<3>}	C[6](C[6]C[6])(C[6]N[6]){1|C<2>,1|I<1>}	N[6](C[6]C[6])2{1|C<2>,1|I<1>}	120.2980	0.000	1	118.8359	16.433	34	118.8691	15.516	36	116.1504	29.262	51	117.3139	35.677	77	117.3139	35.677	77
206	206	914	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	2:2:	2:2:	2:2:	C[6]-2:N[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]N[6])2	N[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])(N[6]C[6]){1|N<2>}	C[6](C[6]N[6])2{1|C<2>}	N[6](C[6]C[6])(C[6]N[6]){1|C<2>}	119.4330	0.344	2	119.4330	0.118	2	118.8691	15.516	36	116.1504	29.262	51	117.3139	35.677	77	117.3139	35.677	77
206	206	914	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	2:2:	2:2:	2:2:	C[6]-2:N[6]-2:	C[6]-2:N[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]N[6])(N[6]C[6])	C[6](C[6]N[6])(N[6]C[6])	N[6](C[6]C[6])2	C[6](C[6]N[6])(N[6]C[6]){1|C<2>}	C[6](C[6]N[6])(N[6]C[6]){1|C<2>}	N[6](C[6]C[6])2{1|N<2>}	109.6317	1.149	12	109.6255	1.097	15	109.6255	1.097	15	116.1504	29.262	51	117.3139	35.677	77	117.3139	35.677	77
206	206	914	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	2:2:	2:2:	2:2:	C[6]-2:N[6]-2:	C[6]-2:N[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]N[6])(N[6]C[6])	C[6](C[6]N[6])(N[6]C[6])	N[6](C[6]C[6])2	C[6](C[6]N[6])(N[6]C[6]){1|C<3>}	C[6](C[6]N[6])(N[6]C[6]){1|C<1>,1|C<2>}	N[6](C[6]C[6])2{1|C<1>,1|N<2>}	109.6003	0.643	3	109.6255	1.097	15	109.6255	1.097	15	116.1504	29.262	51	117.3139	35.677	77	117.3139	35.677	77
206	206	914	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	2:2:	2:2:	3:2:	C[6]-2:N[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]N[6])2	N[6](C[6]N[5]N[6])(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6]){1|N<2>,1|N<3>}	C[6](C[6]N[6])2{1|C<3>}	N[6](C[6]N[5]N[6])(C[6]C[6]){1|C<2>,2|C<3>}	122.4180	0.272	2	122.4180	0.074	2	115.8787	57.041	4	118.9092	32.836	21	117.3139	35.677	77	117.3139	35.677	77
206	206	914	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	2:2:	2:2:	3:2:	C[6]-2:N[6]-2:	C[6]-2:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]N[6])2	N[6](C[6]N[6]O)(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6]){1|N<2>,1|O<1>}	C[6](C[6]N[6])2{1|C<3>}	N[6](C[6]N[6]O)(C[6]C[6]){1|C<2>}	109.3395	0.054	2	109.3395	0.003	2	115.8787	57.041	4	118.9092	32.836	21	117.3139	35.677	77	117.3139	35.677	77
206	206	914	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	2:2:	2:2:	3:2:	C[6]-2:N[6]-2:	C[6]-2:N[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]N[6])(N[6]C[6])	C[6](C[6]N[6])(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]){1|C<1>,1|C<2>}	C[6](C[6]N[6])(N[6]C[6]){1|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]){1|N<2>}	110.0587	0.844	3	110.0587	0.712	3	119.2585	28.120	13	118.9092	32.836	21	117.3139	35.677	77	117.3139	35.677	77
206	206	914	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	2:2:	2:2:	3:2:	C[6]-2:N[6]-2:	C[6]-2:N[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]N[6])(N[6]C[6])	C[6](C[6]N[6])(N[6]C[6])	N[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]N[6])(N[6]C[6]){1|C<3>,1|S<2>}	C[6](C[6]N[6])(N[6]C[6]){1|C<3>,1|S<2>}	N[6](C[6]C[6]S)(C[6]C[6]){1|N<2>,1|S<2>}	122.0184	0.812	10	122.0184	0.660	10	119.2585	28.120	13	118.9092	32.836	21	117.3139	35.677	77	117.3139	35.677	77
206	206	914	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	2:2:	2:2:	3:2:	N[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[5,6]-3:C[6]-2:	C[6](N[6]C[5,6])(C[6]C[6])	C[6](C[6]N[5,6])(C[6]N[6])	N[6](C[5,6]N[5,6]C[5])(C[6]C[6])	C[6](N[6]C[5,6])(C[6]C[6]){1|C<2>,1|N<3>}	C[6](C[6]N[5,6])(C[6]N[6]){1|C<2>,1|C<3>}	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]){3|C<2>}	112.6240	0.000	1	112.6240	0.000	1	112.6240	0.000	1	118.9092	32.836	21	117.3139	35.677	77	117.3139	35.677	77
206	206	914	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	2:2:	2:2:	3:2:	N[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:	C[6](N[6]C[6,6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]N[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](N[6]C[6,6])(C[6]C[6]){2|C<3>}	C[6](C[6]C[6,6])(C[6]N[6]){1|C<2>,1|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|N<2>,3|C<2>}	123.5317	1.766	3	123.5317	3.117	3	123.5317	3.117	3	118.9092	32.836	21	117.3139	35.677	77	117.3139	35.677	77
206	206	914	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	2:2:	3:2:	2:2:	C[6]-2:N[6]-2:	C[6]-3:C[6]-2:	C[6]-2:C[6]-2:	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6])	N[6](C[6]C[6])2	C[6](C[6]C[6])(N[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]){3|C<2>}	N[6](C[6]C[6])2{1|C<3>}	123.1383	12.890	3	123.1383	166.144	3	123.1383	166.144	3	123.1383	166.144	3	117.3139	35.677	77	117.3139	35.677	77
206	206	914	6:SP1_SP1_SP2	C[6]	C[6]	N[6]	2:2:	3:2:	3:2:	C[6]-2:N[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]N[6]N)(C[6]N[6])	N[6](C[6]N[6]O)(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6]){1|N<1>,1|N<2>,1|O<1>}	C[6](C[6]N[6]N)(C[6]N[6]){1|C<3>}	N[6](C[6]N[6]O)(C[6]C[6]){1|C<3>}	121.4985	0.074	2	121.4985	0.006	2	121.4985	0.006	2	121.4985	0.006	2	117.3139	35.677	77	117.3139	35.677	77
206	286	466	6:SP1_SP2_SP3	C[6]	S[6]	C[6]	4:2:	3:2:	4:2:1:1:	C[6]-4:S[6]-2:	C[6]-3:C[6]-2:	C[6]-4:C[6]-2:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[6])	S[6](C[6]C[5a]S[6])(C[6]C[6])	C[6](C[6]S[6]HH)(C[6]S[6])(H)2	C[6](C[6]C[6]HH)(S[6]C[6]){1|C<3>,1|S<2>,2|H<1>}	S[6](C[6]C[5a]S[6])(C[6]C[6]){1|C<4>,2|H<1>,2|S<2>}	C[6](C[6]S[6]HH)(C[6]S[6])(H)2{1|C<3>}	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1	114.1380	0.000	1
206	466	466	6:SP1_SP3_SP3	C[6,6]	C[3x6]	C[3x6]	4:4:	2:2:2:3:	2:2:2:3:	C[3x6]-4:C[3x6]-4:	C[6,6]-2:C[6,6]-2:C[6,6]-2:C-3:	C[6,6]-2:C[6,6]-2:C[6,6]-2:C-3:	C[6,6](C[3x6]C[6,6]2C)2	C[3x6](C[6,6]C[3x6])3(COO)	C[3x6](C[6,6]C[3x6])3(COO)	C[6,6](C[3x6]C[6,6]2C)2{2|C<4>}	C[3x6](C[6,6]C[3x6])3(COO){3|C<2>,3|C<3>}	C[3x6](C[6,6]C[3x6])3(COO){3|C<2>,3|C<3>}	109.3050	0.245	3	109.3050	0.060	3	109.3050	0.060	3	109.3050	0.060	3	109.3050	0.060	3	110.3400	6.110	9
206	466	466	6:SP1_SP3_SP3	C[6]	C[6]	C[6]	4:4:	3:2:1:1:	3:2:1:1:	C[6]-4:C[6]-4:	N[6]-3:C[6]-2:H-1:H-1:	N[6]-3:C[6]-2:H-1:H-1:	C[6](C[6]N[6]HH)2	C[6](N[6]P[6,6]H)(C[6]C[6])(H)2	C[6](N[6]P[6,6]H)(C[6]C[6])(H)2	C[6](C[6]N[6]HH)2{1|P<4>,2|H<1>}	C[6](N[6]P[6,6]H)(C[6]C[6])(H)2{1|N<2>,2|H<1>,2|N<3>}	C[6](N[6]P[6,6]H)(C[6]C[6])(H)2{1|N<2>,2|H<1>,2|N<3>}	116.5550	0.000	1	116.5550	0.000	1	116.5550	0.000	1	116.5550	0.000	1	110.8575	8.788	6	110.3400	6.110	9
206	466	466	6:SP1_SP3_SP3	C[6]	C[6]	C[6]	4:4:	3:4:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:C[6]-2:H-1:	C[6]-4:C[6]-2:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6])(H)	C[6](C[6]N[6]HH)(C[6]C[6])(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	109.9380	0.000	1	109.9380	0.000	1	109.9380	0.000	1	109.9380	0.000	1	110.8575	8.788	6	110.3400	6.110	9
206	466	466	6:SP1_SP3_SP3	C[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:C[6]-2:H-1:H-1:	C[6](C[6]C[6]HH)2	C[6](C[6]C[6]HH)(C[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]C[6])(H)2	C[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	110.0840	0.000	1	110.0840	0.000	1	109.6630	1.642	4	109.6630	1.642	4	110.8575	8.788	6	110.3400	6.110	9
206	466	466	6:SP1_SP3_SP3	C[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:C[6]-2:H-1:H-1:	C[6](C[6]C[6]HH)2	C[6](C[6]C[6]HH)(C[6]C[6])(H)2	C[6](C[6]C[6]HP)(C[6]C[6])(H)2	C[6](C[6]C[6]HH)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6])(H)2{1|C<4>,4|H<1>}	110.3775	0.552	2	110.3775	0.305	2	109.6630	1.642	4	109.6630	1.642	4	110.8575	8.788	6	110.3400	6.110	9
206	466	466	6:SP1_SP3_SP3	C[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:C[6]-2:H-1:H-1:	C[6](C[6]C[6]HH)2	C[6](C[6]C[6]N[5]H)(C[6]C[6])(H)2	C[6](C[6]C[6]HH)(C[6]C[6])(H)2	C[6](C[6]C[6]HH)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6])(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6])(H)2{1|C<4>,4|H<1>}	107.8130	0.000	1	107.8130	0.000	1	109.6630	1.642	4	109.6630	1.642	4	110.8575	8.788	6	110.3400	6.110	9
206	466	474	6:SP1_SP3_SP3	C[6]	C[6]	C[5,3x6]	4:4:	2:2:2:2:	3:3:4:2:	C[5,3x6]-4:C[6]-4:	C[6]-2:C[6]-2:S-2:S-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-2:	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6]SS)	C[6](C[6]C[5,3x6])(C[6]C[6])(SC)2	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6])	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6]SS){1|C<2>,6|C<3>}	C[6](C[6]C[5,3x6])(C[6]C[6])(SC)2{1|C<4>,2|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]){1|C<2>,2|S<2>,8|C<3>}	115.2310	0.000	1	115.2310	0.000	1	115.2310	0.000	1	115.2310	0.000	1	115.2310	0.000	1	115.2310	0.000	1
206	466	622	6:SP1_SP3_SP3	C[6,6]	C[3x6]	O[6,6]	4:2:	2:2:2:4:	4:2:	C[3x6]-4:O[6,6]-2:	C[6,6]-2:C[6,6]-2:C[6,6]-2:C-4:	P[3x6]-4:C[6,6]-2:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])	C[3x6](C[6,6]O[6,6])3(CCHH)	O[6,6](P[3x6]O[6,6]2Pd)(C[6,6]C[3x6])	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6]){1|Pd<4>,2|O<2>}	C[3x6](C[6,6]O[6,6])3(CCHH){1|P<4>}	O[6,6](P[3x6]O[6,6]2Pd)(C[6,6]C[3x6]){1|C<4>,2|C<2>}	109.8883	0.566	9	109.8883	0.321	9	109.8883	0.321	9	109.8883	0.321	9	109.8883	0.321	9	109.8883	0.321	9
206	466	762	6:SP1_SP2_SP3	C[6,6]	C[3x6]	C[3x6]	4:3:	4:2:2:4:	2:2:2:	C[3x6]-4:C[3x6]-3:	C[6,6]-4:C[6,6]-2:C[6,6]-2:P-4:	C[6,6]-2:C[6,6]-2:C[6,6]-2:	C[6,6](C[3x6]C[6,6]2P)(C[3x6]C[6,6]2)	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6])2(PPdCC)	C[3x6](C[6,6]C[3x6])3	C[6,6](C[3x6]C[6,6]2P)(C[3x6]C[6,6]2){2|C<3>,2|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6])2(PPdCC){3|C<2>}	C[3x6](C[6,6]C[3x6])3{1|C<4>,1|P<4>,2|C<2>}	111.1490	0.454	2	111.1490	0.206	2	111.1490	0.206	2	111.1490	0.206	2	111.1490	0.206	2	117.3437	25.623	14
206	466	762	6:SP1_SP2_SP3	C[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:2:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-2:O-2:	C[3x6]-4:C[6,6]-2:H-1:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]H)	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6])(OC)	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){2|C<2>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]C[6,6])(OC){1|C<4>,2|C<2>,3|H<1>}	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>}	113.9070	0.000	1	113.9070	0.000	1	113.9070	0.000	1	113.9070	0.000	1	113.9070	0.000	1	117.3437	25.623	14
206	466	762	6:SP1_SP2_SP3	C[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:3:4:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6]-2:H-1:	C[6]-2:C[6]-3:C-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6])(H)	C[6](C[6]C[6,6])(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2H)(C[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|C<4>}	112.7790	0.000	1	112.7790	0.000	1	112.7790	0.000	1	112.7790	0.000	1	112.7790	0.000	1	117.3437	25.623	14
206	466	762	6:SP1_SP2_SP3	C[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-3:C[6]-2:H-1:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6])(H)2	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6])(H)2{1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]C[6])(OC){2|C<3>,2|H<1>}	118.1780	0.000	1	118.1780	0.000	1	118.1780	0.000	1	118.1780	0.000	1	119.3828	20.212	10	117.3437	25.623	14
206	466	762	6:SP1_SP2_SP3	C[6]	C[6]	C[6]	4:3:	3:2:2:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-3:C[6]-2:S-2:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]HS)(C[6]C[6]O)	C[6](C[6]C[6]S)(C[6]C[6])(SPd)(H)	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]HS)(C[6]C[6]O){1|C<3>,1|O<2>,1|S<2>}	C[6](C[6]C[6]S)(C[6]C[6])(SPd)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(OC){1|C<3>,1|S<2>,2|H<1>}	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	119.3828	20.212	10	117.3437	25.623	14
206	466	762	6:SP1_SP2_SP3	C[6]	C[6]	C[6]	4:3:	3:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-3:C[6]-2:P-4:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(PC[6a]3)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]HP)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(PC[6a]3)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>,2|H<1>}	118.3550	0.000	1	118.3550	0.000	1	118.3550	0.000	1	118.3550	0.000	1	119.3828	20.212	10	117.3437	25.623	14
206	466	762	6:SP1_SP2_SP3	C[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:2:2:	C[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:N-2:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6])(H)	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){1|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6])(H){1|N<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(NC[6a]){1|N<3>,2|C<3>,2|H<1>}	111.8600	0.000	1	111.8600	0.000	1	111.8600	0.000	1	111.8600	0.000	1	119.3828	20.212	10	117.3437	25.623	14
206	466	762	6:SP1_SP2_SP3	C[6]	C[6]	C[6]	4:3:	3:3:3:2:	3:2:2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:C[6]-2:	C[6]-3:Se[6]-2:C[6]-2:	C[6](C[6]C[6a]C[6]2)(C[6]Se[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	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]){1|C<2>,1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|Se<2>,4|H<1>,6|C<3>}	C[6](C[6]C[6]2)(Se[6]C[6])(C[6]C[6]){1|H<1>,6|C<3>}	130.1980	0.000	1	130.1980	0.000	1	130.1980	0.000	1	130.1980	0.000	1	119.3828	20.212	10	117.3437	25.623	14
206	466	762	6:SP1_SP2_SP3	C[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-3:P-4:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)	C[6](C[6]C[6]H)(PC[6]2Pd)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]HP)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(PC[6]2Pd)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>,2|H<1>}	119.6767	0.198	4	119.6767	0.039	4	119.6767	0.039	4	119.6767	0.039	4	119.3828	20.212	10	117.3437	25.623	14
206	466	762	6:SP1_SP2_SP3	C[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	P-4:C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]HP)(C[6]C[6]H)	C[6](PC[6a]2Rh)(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]C[6]HP)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](PC[6a]2Rh)(C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>,2|H<1>}	117.0650	0.000	1	117.0650	0.000	1	117.0650	0.000	1	117.0650	0.000	1	119.3828	20.212	10	117.3437	25.623	14
206	466	818	6:SP1_SP2_SP3	C[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	4:4:2:	C[5,6]-3:C[6]-4:	C[6,6]-4:C[6]-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-2:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6])(H)2	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH){1|N<4>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6])(H)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6,6]N[5]H)(C[5]C[5]HH)(C[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	123.2690	0.000	1	123.2690	0.000	1	123.2690	0.000	1	123.2690	0.000	1	123.2690	0.000	1	123.2690	0.000	1
206	466	856	6:SP1_SP2_SP3	C[6,6]	C[3x6]	N[6,6]	3:4:	4:4:2:4:	4:2:3:	N[6,6]-3:C[3x6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-2:C-4:	C[3x6]-4:C[6,6]-2:C[6a]-3:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6])(CCCH)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6])(C[6a]C[6a]2)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(C[6,6]N[6,6])(CCCH){1|C<3>,1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6])(C[6a]C[6a]2){2|C<3>,4|H<1>,5|C<4>}	109.1670	0.000	1	109.1670	0.000	1	109.1670	0.000	1	109.1670	0.000	1	109.1670	0.000	1	111.4903	22.139	4
206	466	856	6:SP1_SP2_SP3	C[6]	C[3x6]	N[6]	4:3:	4:4:4:2:	3:4:2:	C[3x6]-4:N[6]-3:	C[3x6]-4:C[3x6]-4:C[6]-4:C[6]-2:	C[6a]-3:C[6]-4:C[6]-2:	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6a]C[6])	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6]HH)(C[6]N[6])	N[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[3x6])	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6a]C[6]){2|C<3>,4|H<1>,7|C<4>}	C[3x6](C[3x6]C[6,6]2H)2(C[6]C[6]HH)(C[6]N[6]){10|H<1>,1|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[3x6]){2|C<3>,2|H<1>,5|C<4>}	117.8740	0.000	1	117.8740	0.000	1	117.8740	0.000	1	117.8740	0.000	1	117.8740	0.000	1	111.4903	22.139	4
206	466	856	6:SP1_SP2_SP3	C[6]	C[6,6]	N[6]	4:3:	4:4:2:3:	3:2:4:	C[6,6]-4:N[6]-3:	C[6,6]-4:C[6]-4:C[6]-2:C-3:	C[6,6a]-3:C[6]-2:S-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6])(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6a]O[6]H)(C[6]N[6])(COO){1|S<4>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	111.4903	22.139	4
206	466	856	6:SP1_SP2_SP3	C[6]	C[6]	N[6]	4:3:	2:2:1:1:	3:2:1:	C[6]-4:N[6]-3:	C[6]-2:C[6]-2:H-1:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6]N[6])2(H)2	N[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]HH)(N[6]C[6]H){1|C<1>,1|N<2>}	C[6](C[6]N[6])2(H)2{1|C<3>,1|H<1>}	N[6](C[6]N[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	107.0080	0.000	1	107.0080	0.000	1	107.0080	0.000	1	107.0080	0.000	1	107.0080	0.000	1	111.4903	22.139	4
206	466	856	6:SP1_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:3:	3:2:1:1:	2:2:2:	C[6,6]-4:N[3x6]-3:	N[3x6]-3:C[6,6]-2:H-1:H-1:	C[6,6]-2:C[6,6]-2:C[6,6]-2:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6])(H)2	N[3x6](C[6,6]C[6,6])3	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2){2|C<4>}	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6])(H)2{2|C<2>,4|H<1>}	N[3x6](C[6,6]C[6,6])3{1|N<3>,6|H<1>}	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1
206	466	914	6:SP1_SP2_SP3	C[6]	C[6]	N[6]	4:2:	2:2:1:1:	3:2:	C[6]-4:N[6]-2:	C[6]-2:C[6]-2:H-1:H-1:	C[6]-3:C[6]-2:	C[6](C[6]C[6]HH)(N[6]C[6])	C[6](C[6]N[6])2(H)2	N[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]C[6]HH)(N[6]C[6]){1|C<1>,1|N<3>}	C[6](C[6]N[6])2(H)2{1|C<3>,1|H<1>}	N[6](C[6]N[6]C)(C[6]C[6]){1|C<2>,3|H<1>}	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1	108.4880	0.000	1
206	486	902	6:SP1_SP2_SP3	C[6]	C[3,6]	C[3,6]	4:3:	3:2:2:1:	4:2:2:	C[3,6]-4:C[3,6]-3:	C[3,6]-3:C[3]-2:C[6]-2:C-1:	C[3,6]-4:C[3]-2:C[6]-2:	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3])	C[3,6](C[3,6]C[3]C[6])(C[3]C[3,6])(C[6]C[3,6])(C)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6])(C[6]C[3,6])	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]){1|C<1>,1|C<2>}	C[3,6](C[3,6]C[3]C[6])(C[3]C[3,6])(C[6]C[3,6])(C){1|C<2>,1|C<4>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6])(C[6]C[3,6]){1|C<1>,1|C<2>,1|C<3>}	77.7201	2.046	3	77.7201	4.186	3	77.7201	4.186	3	77.7201	4.186	3	77.7201	4.186	3	77.7201	4.186	3
206	643	727	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-2:	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5,6,6a]C[6a,6a])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6])	C[5a,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a]C[5a,6a,6a]C[5,6a])(C[6]C[6,6a])	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5,6,6a]C[6a,6a]){7|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6]){1|C<2>,7|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6a]C[5a,6a,6a]C[5,6a])(C[6]C[6,6a]){7|C<3>}	127.2920	0.000	1	127.2920	0.000	1	127.2920	0.000	1	127.4370	0.221	3	127.4370	0.221	3	127.4370	0.221	3
206	643	727	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[5a,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5a,6,6a]-3:C[5a,6a]-3:C[6]-2:	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5a,6,6a]C[6a,6a])	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6])	C[5a,6](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6]C[6,6a])	C[6](C[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[5a,6,6a]C[6a,6a]){7|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5a,6]){1|C<2>,7|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6]C[6,6a]){7|C<3>}	127.5095	0.640	2	127.5095	0.410	2	127.5095	0.410	2	127.4370	0.221	3	127.4370	0.221	3	127.4370	0.221	3
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[3x6]	3:3:	3:2:2:	3:4:2:	C[6,6a]-3:C[3x6]-3:	C[6,6a]-3:C[6]-2:N[6a]-2:	C[3x6]-3:C[3x6]-4:C[6]-2:	C[6](C[6,6a]C[6,6a]N[6a])(C[3x6]C[3x6]2)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[3x6])(N[6a]C[6a])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[3x6]C[3x6]2){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[3x6])(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6,6a]){1|H<1>,1|N<2>,2|C<2>,3|C<3>}	118.7650	0.000	1	118.7650	0.000	1	118.7650	0.000	1	118.7650	0.000	1	118.7650	0.000	1	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:2:2:	2:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:C[6]-2:	C[6]-2:C[6]-2:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6])	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){1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(C[6]C[6]){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a])(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	122.6770	0.000	1	122.6770	0.000	1	122.6770	0.000	1	122.6770	0.000	1	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6]-2:C[6]-2:Br-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6])	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){1|C<2>,1|C<3>,1|O<1>,1|S<2>}	C[6,6a](C[6,6a]S[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]){1|Br<1>,1|C<3>,2|C<2>}	C[6](C[6]C[6,6a])(C[6]C[6])(Br){2|C<3>}	120.0070	0.000	1	120.0070	0.000	1	120.0070	0.000	1	120.0070	0.000	1	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	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){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a])(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	119.9500	0.000	1	119.9110	0.036	3	120.0740	1.002	13	120.0644	0.881	15	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	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){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){1|Re<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a])(C[6]N[6]H)(H){1|Re<6>,2|C<3>}	119.7050	0.000	1	119.9110	0.036	3	120.0740	1.002	13	120.0644	0.881	15	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	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){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){1|Ru<8>,1|N<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a])(C[6]N[6]H)(H){1|Ru<8>,2|C<3>}	120.0780	0.000	1	119.9110	0.036	3	120.0740	1.002	13	120.0644	0.881	15	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6])	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){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.7060	0.000	1	121.7060	0.000	1	120.0740	1.002	13	120.0644	0.881	15	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6])	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){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.8350	0.000	1	120.8350	0.000	1	120.0740	1.002	13	120.0644	0.881	15	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6])	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){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.1820	0.000	1	118.1820	0.000	1	120.0740	1.002	13	120.0644	0.881	15	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[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){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>}	118.2120	0.000	1	120.0072	1.452	4	120.0740	1.002	13	120.0644	0.881	15	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[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){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7750	0.000	1	120.0072	1.452	4	120.0740	1.002	13	120.0644	0.881	15	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[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){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.5210	0.122	2	120.0072	1.452	4	120.0740	1.002	13	120.0644	0.881	15	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	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){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){1|Cd<6>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a])(C[6]N[6]C)(H){1|Cd<6>,2|C<3>}	119.8860	0.000	1	119.8860	0.000	1	120.0740	1.002	13	120.0644	0.881	15	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6])	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){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a])(C[6]N[6]H)(H){2|C<3>}	119.7740	0.000	1	119.7740	0.000	1	120.0740	1.002	13	120.0644	0.881	15	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	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){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){2|C<3>,3|H<1>}	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.8170	0.000	1	120.8170	0.000	1	120.0740	1.002	13	120.0644	0.881	15	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-2:	C[6]-2:C[6]-3:Br-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6]C[6])	C[6](C[6]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){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a])(C[6]C[6]H)(Br){1|H<1>,2|C<3>}	120.3940	0.000	1	120.3940	0.000	1	120.3940	0.000	1	120.0644	0.881	15	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	N[5a,6a]-3:C[6,6a]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6])	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){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]N[6])(C[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6](C[6]C[6,6a])(C[6]N[6]H)(H){1|C<3>,1|N<3>}	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	120.0644	0.881	15	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[5,6a]-3:C[6,6a]-3:C[6]-2:	C[6]-2:C[6]-3:O-2:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]O)	C[6,6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[5,6a]C[6])(C[6]C[6])	C[6](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){1|C<2>,1|O<2>,1|S<2>,2|C<3>}	C[6,6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[5,6a]C[6])(C[6]C[6]){1|C<2>,1|O<2>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6a])(C[6]C[6]O)(OC){2|C<3>}	120.7940	0.068	2	120.7940	0.005	2	120.7940	0.005	2	120.7940	0.005	2	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[5,6,6a]-3:C[6a]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]P)(C[6]C[6])	C[6](C[6]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){1|H<1>,1|P<3>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]P)(C[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6a])(H){1|C<4>,2|C<3>}	120.8450	0.000	1	120.8450	0.000	1	120.8450	0.000	1	120.9287	0.648	3	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-2:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6]C[6])	C[6](C[6,6a]C[6,6a,6a]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){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a]C[6a]H)(C[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]S[6a])(C[6]C[6,6a])(H){4|C<3>}	121.7720	0.000	1	121.7720	0.000	1	121.7720	0.000	1	120.9287	0.648	3	120.3647	1.038	22	120.2952	1.102	23
206	643	762	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6])	C[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){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6a])(H){1|H<1>,4|C<3>}	120.1690	0.000	1	120.1690	0.000	1	120.1690	0.000	1	120.9287	0.648	3	120.3647	1.038	22	120.2952	1.102	23
206	643	818	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a])	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]){7|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]){1|C<2>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]){7|C<3>}	124.1375	0.863	2	124.1375	0.745	2	124.7677	1.564	3	124.7677	1.564	3	124.7677	1.564	3	124.7677	1.564	3
206	643	818	6:SP1_SP2_SP2	C[6]	C[6,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[5,6]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-2:	C[5,6,6a]-3:C[5,6a]-3:C[6]-2:	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a])	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a])	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]){7|C<3>}	C[6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6a,6a]C[5a,6a,6a]C[6,6a])(C[6]C[5,6]){1|C<2>,7|C<3>}	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[6]C[6,6a]){7|C<3>}	126.0280	0.000	1	126.0280	0.000	1	124.7677	1.564	3	124.7677	1.564	3	124.7677	1.564	3	124.7677	1.564	3
206	727	762	6:SP1_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6])	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){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]){1|Zn<5>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	116.5190	0.000	1	116.5190	0.000	1	116.5190	0.000	1	117.0825	0.635	2	116.5158	1.218	5	116.5158	1.218	5
206	727	762	6:SP1_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:	3:2:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:S[5a]-2:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6])	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){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	117.6460	0.000	1	117.6460	0.000	1	117.6460	0.000	1	117.0825	0.635	2	116.5158	1.218	5	116.5158	1.218	5
206	727	762	6:SP1_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:2:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-2:	C[6]-2:C[6]-2:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6])	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){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[5a,6])(C[6]C[6])(H){1|C<3>,1|N<3>}	116.8680	0.000	1	116.8680	0.000	1	116.8680	0.000	1	116.8680	0.000	1	116.5158	1.218	5	116.5158	1.218	5
206	727	762	6:SP1_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6])	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){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]){1|C<3>,4|H<1>}	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	116.8610	0.000	1	116.8610	0.000	1	116.8610	0.000	1	115.7730	2.367	2	116.5158	1.218	5	116.5158	1.218	5
206	727	762	6:SP1_SP2_SP2	C[6]	C[5a,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6])	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){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	114.6850	0.000	1	114.6850	0.000	1	114.6850	0.000	1	115.7730	2.367	2	116.5158	1.218	5	116.5158	1.218	5
206	762	762	6:SP1_SP2_SP2	C[6,6]	C[3x6]	C[3x6]	3:3:	2:2:2:	2:2:2:	C[3x6]-3:C[3x6]-3:	C[6,6]-2:C[6,6]-2:C[6,6]-2:	C[6,6]-2:C[6,6]-2:C[6,6]-2:	C[6,6](C[3x6]C[6,6]2)2	C[3x6](C[6,6]C[3x6])3	C[3x6](C[6,6]C[3x6])3	C[6,6](C[3x6]C[6,6]2)2{1|C<3>,1|C<4>}	C[3x6](C[6,6]C[3x6])3{1|C<4>,1|P<4>,2|C<2>}	C[3x6](C[6,6]C[3x6])3{1|C<4>,1|P<4>,2|C<2>}	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	109.0100	0.675	3	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6,6]	C[3x6]	C[3x6]	3:3:	4:2:2:	2:2:2:	C[3x6]-3:C[3x6]-3:	C[6,6]-4:C[6,6]-2:C[6,6]-2:	C[6,6]-2:C[6,6]-2:C[6,6]-2:	C[6,6](C[3x6]C[6,6]2)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6])2	C[3x6](C[6,6]C[3x6])3	C[6,6](C[3x6]C[6,6]2)2{1|C<3>,1|C<4>,2|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6])2{1|P<4>,3|C<2>}	C[3x6](C[6,6]C[3x6])3{1|C<4>,1|P<4>,2|C<2>}	108.6880	0.853	2	108.6880	0.727	2	108.6880	0.727	2	108.6880	0.727	2	109.0100	0.675	3	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:	4:3:2:	2:3:1:	C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6])	C[6](C[6]C[3x6])(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.4720	0.000	1	119.4720	0.000	1	119.4720	0.000	1	119.4720	0.000	1	119.4720	0.000	1	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:2:2:	2:2:2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-2:C[6]-2:	C[6]-2:C[6]-2:O-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	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){1|C<3>,2|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<2>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6])(C[6]C[6])(OC){1|C<2>,1|C<3>}	118.9230	0.000	1	118.9230	0.000	1	118.9230	0.000	1	118.9230	0.000	1	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:2:2:	2:2:4:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-2:O[6]-2:	C[6]-2:O[6]-2:C-4:	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]C[6])	C[6](C[6]C[6,6])(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C){3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]C[6]){1|C<3>,2|C<4>,3|O<2>}	C[6](C[6]C[6,6])(O[6]C[6])(CH3){1|C<3>,2|O<2>}	118.8150	0.000	1	118.8150	0.000	1	118.8150	0.000	1	118.8150	0.000	1	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:2:2:	2:3:1:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-2:O[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]B[6])	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){1|B<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]B[6]){1|C<3>,1|C<4>,1|F<1>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	121.2550	0.000	1	121.2550	0.000	1	121.2550	0.000	1	119.7345	4.624	2	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:2:2:	2:3:1:	C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-2:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a])(C[6]C[6])	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){1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a])(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	118.2140	0.000	1	118.2140	0.000	1	118.2140	0.000	1	119.7345	4.624	2	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:2:2:	2:3:2:	C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-2:	C[6]-2:C[6]-3:N-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6])	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){1|C<2>,1|C<4>,2|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]){1|C<2>,1|N<2>,3|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]C)(NC){1|C<3>,1|O<2>}	120.1750	0.000	1	120.1750	0.000	1	120.1750	0.000	1	120.1750	0.000	1	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:2:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-2:	C[6]-2:C[6]-3:N-3:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6])	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){1|C<2>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]){1|C<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]C)(NCH){1|C<3>,1|O<2>}	119.3370	0.000	1	119.3370	0.000	1	119.3370	0.000	1	119.3370	0.000	1	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:2:1:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6]-2:C[6]-2:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6])	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){1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|I<2>,2|C<2>,3|H<1>}	C[6](C[6]C[6,6])(C[6]C[6])(H){1|I<2>,2|C<3>}	121.3370	0.000	1	121.3370	0.000	1	121.3370	0.000	1	121.3370	0.000	1	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6]-3:C[6]-3:	C[6,6]-3:B[6]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)	C[6,6](C[6,6]B[6]C[6])(B[6]C[6,6]I)(C[6]C[6])	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){1|B<3>,1|C<2>,1|C<3>,1|H<1>,1|I<1>}	C[6,6](C[6,6]B[6]C[6])(B[6]C[6,6]I)(C[6]C[6]){1|C<2>,1|H<1>,1|I<1>,2|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|B<3>,1|C<3>}	122.5040	0.000	1	122.5040	0.000	1	122.5040	0.000	1	121.2105	3.346	2	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(C[6]C[6])	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){1|C<4>,1|H<1>,3|C<3>}	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]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	121.2105	3.346	2	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6]-2:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6])	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){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6]){2|C<2>,4|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]N)(CHH){2|C<3>}	124.7260	0.000	1	124.7260	0.000	1	124.7260	0.000	1	124.7260	0.000	1	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6]-2:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6])(C[6]C[6]N)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<2>,1|N<2>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6]){1|C<4>,2|C<2>,3|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]N)(CH3){2|C<3>}	124.1050	0.000	1	124.1050	0.000	1	124.1050	0.000	1	124.1050	0.000	1	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6]-3:C[6]-3:	C[5a,6,6]-3:C[5,6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6,6]C[5a,6,6]C[5,6])(C[6]C[6]H)	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]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){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	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]C[5a,6]H)(C[6]C[6,6])(H){3|C<3>}	119.3900	0.000	1	119.3900	0.000	1	119.3900	0.000	1	120.9213	1.473	4	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	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){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	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>}	121.4317	0.804	3	121.4317	0.646	3	121.4317	0.646	3	120.9213	1.473	4	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:4:2:	2:3:2:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-2:	C[6]-2:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6])	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){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6])(C[6]C[6]O)(OC){1|C<3>,1|C<4>,1|H<1>}	122.8350	0.000	1	122.8350	0.000	1	122.8350	0.000	1	122.8350	0.000	1	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:4:2:	3:2:1:	C[6,6]-3:C[6]-3:	C[6,6,6a]-3:P[6]-4:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6,6]C[6,6,6a]P[6])(C[6]C[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(P[6]S[6]SS)(C[6]C[6])	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){1|H<1>,1|S<1>,2|C<3>,2|S<2>}	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]C[6,6a]H)(C[6]C[6,6])(H){1|P<4>,2|C<3>}	122.3210	0.000	1	122.3210	0.000	1	122.3210	0.000	1	122.1590	0.052	2	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	3:4:2:	3:2:1:	C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-2:	C[6,6a]-3:C[6]-2:Br-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]Br)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6])	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){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(Br){1|C<4>,1|H<1>,3|C<3>}	121.9970	0.000	1	121.9970	0.000	1	121.9970	0.000	1	122.1590	0.052	2	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	4:3:2:	2:3:1:	C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6])	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){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.4230	0.000	1	121.4230	0.000	1	121.2390	0.068	2	121.2390	0.068	2	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:	4:3:2:	2:3:1:	C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-2:	C[6]-2:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)	C[6,6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6]C[6]O[6])(C[6]C[6])	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){1|O<2>,2|N<3>,3|C<3>}	C[6,6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6]C[6]O[6])(C[6]C[6]){1|N<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	121.0550	0.000	1	121.0550	0.000	1	121.2390	0.068	2	121.2390	0.068	2	121.1312	3.043	20	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:	3:2:3:	3:2:2:	C[6,6]-3:C[6]-3:	N[6]-3:C[6]-2:C[6]-3:	C[6,6]-3:C[6]-2:C[6]-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[6])	C[6](N[6]C[6]S[6])(C[6]C[6,6])(C[6]C[6]2)	C[6,6](C[6,6]C[6]S[6])(C[6]C[6])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>}	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[6,6](C[6,6]C[6]S[6])(C[6]C[6])2{1|C<2>,1|C<3>,1|N<3>,2|O<1>}	124.5470	0.000	1	124.5470	0.000	1	124.5470	0.000	1	124.5470	0.000	1	124.5470	0.000	1	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	2:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-2:N[6]-2:N-1:	C[6]-2:N[6]-2:N-1:	C[6](C[6]N[6]N)2	C[6](C[6]C[6])(N[6]C[6])(N)	C[6](C[6]C[6])(N[6]C[6])(N)	C[6](C[6]N[6]N)2{1|C<3>}	C[6](C[6]C[6])(N[6]C[6])(N){1|N<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6])(N[6]C[6])(N){1|N<1>,1|N<2>,1|S<2>}	117.3270	0.000	1	117.3270	0.000	1	117.3270	0.000	1	117.3270	0.000	1	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	2:2:1:	2:2:3:	C[6]-3:C[6]-3:	C[6]-2:N[6]-2:H-1:	C[6]-2:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6])2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H){1|C<3>}	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])2(CCH){1|N<2>,2|H<1>}	120.0115	0.384	4	120.0115	0.148	4	120.0115	0.148	4	120.0115	0.148	4	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	2:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-2:N[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H){1|C<3>,1|H<1>}	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]H)(C[6]C[6])(CCHH){1|N<2>,2|H<1>}	111.2290	0.000	1	111.2290	0.000	1	111.2290	0.000	1	111.2290	0.000	1	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	2:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-2:N[6]-2:N-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)	C[6](C[6]C[6])(N[6]C[6])(NN)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,1|H<1>}	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]C[6])(H){1|H<1>,2|N<2>}	118.5800	0.000	1	118.5800	0.000	1	118.5800	0.000	1	118.5800	0.000	1	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	2:2:4:	2:2:2:	C[6]-3:C[6]-3:	C[6]-2:O[6]-2:C-4:	C[6]-2:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]O[6]C)	C[6](C[6]C[6])(O[6]C[6])(CC3)	C[6](C[6]C[6])2(CC)	C[6](C[6]C[6]C)(C[6]O[6]C){1|C<3>}	C[6](C[6]C[6])(O[6]C[6])(CC3){1|C<4>,2|C<2>}	C[6](C[6]C[6])2(CC){1|O<2>,2|C<4>}	120.0085	0.268	2	120.0085	0.072	2	120.0085	0.072	2	120.0085	0.072	2	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-2:F-1:	C[6]-2:C[6]-2:F-1:	C[6](C[6]C[5,6]F)(C[6]C[6]F)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6])(F)	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){1|C<3>,1|S<2>}	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])(C[6]C[6])(F){1|C<3>,1|F<1>,1|N<3>}	117.3350	0.000	1	117.3350	0.000	1	117.3350	0.000	1	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6])(H)	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){1|C<3>,1|N<2>}	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])(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	122.5590	0.000	1	122.5590	0.000	1	122.5590	0.000	1	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-1:	C[6]-2:C[6]-2:C-1:	C[6](C[6]C[6]C)2	C[6](C[6]C[6]Si)(C[6]C[6])(C)	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)2{1|Si<3>,1|C<3>}	C[6](C[6]C[6]Si)(C[6]C[6])(C){1|C<2>,2|C<1>}	C[6](C[6]C[6])2(C){1|C<3>,2|C<1>}	120.0655	0.375	2	120.0655	0.141	2	120.0655	0.141	2	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:Cl-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]N)(C[6]C[6])(Cl)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6])(Cl){1|C<2>,2|H<1>}	C[6](C[6]C[6])2(H){1|Cl<1>,1|C<3>,1|H<1>}	121.6680	0.000	1	121.6680	0.000	1	121.6680	0.000	1	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:D-1:	C[6]-2:C[6]-2:D-1:	C[6](C[6]C[6]D)2	C[6](C[6]N[6]D)(C[6]C[6])(D)	C[6](C[6]C[6])(C[6]N[6])(D)	C[6](C[6]C[6]D)2{1|D<1>,1|N<3>}	C[6](C[6]N[6]D)(C[6]C[6])(D){1|Pd<4>,1|C<2>,1|D<1>}	C[6](C[6]C[6])(C[6]N[6])(D){1|Pd<4>,1|C<3>,1|D<1>}	120.8600	0.000	1	120.8600	0.000	1	120.8600	0.000	1	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:F-1:	C[6]-2:C[6]-2:F-1:	C[6](C[6]C[6]F)2	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6])2(F)	C[6](C[6]C[6]F)2{1|C<2>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6])(F){1|C<2>,1|F<1>}	C[6](C[6]C[6])2(F){1|C<3>,1|F<1>}	116.4490	0.000	1	116.4490	0.000	1	116.4490	0.000	1	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6])2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|P<4>}	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])2(Cl){1|C<3>,2|H<1>}	120.1730	0.557	2	120.1730	0.310	2	120.1730	0.310	2	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2{2|C<3>}	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])2(H){1|C<3>,2|H<1>}	120.9355	0.144	2	120.9355	0.021	2	120.7108	0.543	24	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2{1|C<2>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,1|H<1>}	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	120.7030	0.000	1	120.7067	0.894	8	120.7108	0.543	24	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6])2(H){1|C<3>,2|H<1>}	120.4570	0.585	4	120.7067	0.894	8	120.7108	0.543	24	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2{2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6])2(H){1|C<3>,2|H<1>}	121.0410	1.525	3	120.7067	0.894	8	120.7108	0.543	24	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	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])2(H){1|C<3>,1|H<1>,1|P<4>}	119.9475	0.330	2	120.5147	0.667	4	120.7108	0.543	24	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	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])2(H){1|Ge<4>,1|C<3>,1|H<1>}	121.6320	0.000	1	120.5147	0.667	4	120.7108	0.543	24	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>}	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])2(H){1|Si<4>,1|C<3>,1|H<1>}	120.5320	0.000	1	120.5147	0.667	4	120.7108	0.543	24	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2{1|C<3>,1|N<3>}	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])2(H){1|Cl<1>,1|C<3>,1|H<1>}	120.9130	0.000	1	120.9130	0.000	1	120.7108	0.543	24	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2{1|C<3>,1|P<4>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6])2(H){1|C<3>,2|H<1>}	120.8575	0.378	2	120.8575	0.143	2	120.7108	0.543	24	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2{1|C<3>,1|S<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])2(H){1|C<3>,1|H<1>,1|S<2>}	119.3920	0.000	1	120.3540	0.726	3	120.7108	0.543	24	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2{1|C<3>,1|S<4>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6])2(H){1|C<3>,2|H<1>}	120.8350	0.252	2	120.3540	0.726	3	120.7108	0.543	24	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Se)(C[6]C[6])(H)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2{1|Se<3>,1|C<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])2(H){1|C<3>,1|H<1>}	120.7640	0.000	1	120.7640	0.000	1	120.7108	0.543	24	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>}	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6])2(H){1|C<3>,2|H<1>}	120.4860	0.099	2	120.4860	0.010	2	120.7108	0.543	24	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)2{1|C<2>,1|C<3>}	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])2(H){1|C<3>,1|H<1>}	122.0480	0.000	1	122.0480	0.000	1	120.7108	0.543	24	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|S<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])(N[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	119.9480	0.000	1	119.9480	0.000	1	119.9480	0.000	1	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[5,6]-3:C[6]-2:C-1:	N[6]-2:C[6]-2:C-1:	C[6](C[6]N[5,6]C)(C[6]N[6]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6])(C)	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){1|C<3>,1|N<2>}	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](N[6]C[5,6])(C[6]C[6])(C){1|C<1>,1|N<2>,1|N<3>}	121.2380	0.000	1	121.2380	0.000	1	121.2380	0.000	1	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[5,6]-3:C[6]-2:O-1:	N[6]-2:C[6]-2:C-1:	C[6](C[6]N[5,6]O)(C[6]N[6]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6])(O)	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){1|C<3>,1|N<2>}	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](N[6]C[5,6])(C[6]C[6])(C){1|N<2>,1|N<3>,1|O<1>}	122.8550	0.000	1	122.8550	0.000	1	122.8550	0.000	1	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]Pd)(C[6]C[6])(H)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>}	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])2(H){1|C<3>,1|H<1>,1|N<3>}	119.5280	0.000	1	119.5280	0.000	1	119.5280	0.000	1	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:H-1:	C[6]-2:N[6]-2:H-1:	C[6](C[6]N[6]H)2	C[6](N[6]C[6]Pt)(C[6]C[6])(H)	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]N[6]H)2{1|Pt<4>,1|C<3>}	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]C[6])(N[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>}	117.4820	0.000	1	117.4820	0.000	1	117.4820	0.000	1	120.4594	1.707	38	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6])2(SRe)	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<2>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,1|S<2>}	C[6](C[6]C[6])2(SRe){1|C<3>,1|H<1>}	121.2770	0.000	1	121.2770	0.000	1	121.2770	0.000	1	120.3195	1.834	2	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:N[6]-2:C-2:	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6])(N[6]C[6])(CC)	C[6](C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|H<1>}	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])(N[6]C[6])(CC){1|C<3>,2|H<1>}	119.3620	0.000	1	119.3620	0.000	1	119.3620	0.000	1	120.3195	1.834	2	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:Se-3:	C[6](C[6]C[6]Se)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6])2(SeRe2)	C[6](C[6]C[6]Se)(C[6]C[6]H){1|C<3>,1|H<1>}	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])2(SeRe2){1|C<3>,2|H<1>}	120.3575	0.091	2	120.3575	0.008	2	120.3575	0.008	2	120.3575	0.008	2	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:4:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	N[6]-2:C[6]-2:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	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){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<2>,2|C<3>}	C[6](N[6]C[6,6a])(C[6]C[6])(CH3){1|H<1>,2|C<3>}	120.0145	0.254	2	120.0145	0.064	2	120.0145	0.064	2	120.6735	0.885	4	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	2:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-1:	C[6]-2:C[6]-2:C-4:	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)(C[6]C[6])(C)	C[6](C[6]C[6])2(CH3)	C[6](C[6]C[6]C)2{2|C<3>}	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])2(CH3){1|C<3>,2|C<1>}	121.3325	0.924	2	121.3325	0.854	2	121.3325	0.854	2	120.6735	0.885	4	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-2:H-1:	C[6,6a]-3:C[6]-2:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6])(H)	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){1|C<4>,2|C<3>}	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[6,6a]C[5,6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	123.2910	0.000	1	123.2910	0.000	1	123.2910	0.000	1	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)	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[6](C[6]C[5,6]H)(C[6]C[6]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){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|H<1>,2|C<3>}	122.3560	0.000	1	122.3560	0.000	1	121.7886	1.121	5	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)	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[6](C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>}	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>}	122.6990	0.000	1	121.6467	1.361	4	121.7886	1.121	5	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)	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[6](C[6]C[5,6]H)(C[6]C[6]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|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>}	121.9100	0.000	1	121.6467	1.361	4	121.7886	1.121	5	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)	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[6](C[6]C[5,6]H)(C[6]C[6]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>}	C[6](C[6]C[5,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	119.9790	0.000	1	121.6467	1.361	4	121.7886	1.121	5	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[5,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)	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[6](C[6]C[5,6]H)(C[6]C[6]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>}	C[6](C[6]C[5,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	121.9990	0.000	1	121.6467	1.361	4	121.7886	1.121	5	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	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)	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	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>}	122.2610	0.000	1	122.2610	0.000	1	121.0042	2.091	4	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	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)	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	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|C<3>,1|H<1>,1|N<3>}	121.2350	0.000	1	120.0830	2.654	2	121.0042	2.091	4	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	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)	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	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|C<3>,1|H<1>,1|N<3>}	118.9310	0.000	1	120.0830	2.654	2	121.0042	2.091	4	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)	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)	C[6](C[6]C[5a,6]H)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	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|N<2>}	121.5900	0.000	1	121.5900	0.000	1	121.0042	2.091	4	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	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){1|H<1>,2|C<3>}	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](N[6]C[5a,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)	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)	C[6](C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	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|H<1>,1|N<3>}	117.0110	0.000	1	117.0110	0.000	1	119.7030	6.372	3	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)	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)	C[6](C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	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|H<1>,2|C<3>}	120.0810	0.000	1	121.0490	1.874	2	119.7030	6.372	3	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)	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)	C[6](C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,2|C<3>}	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|C<2>,1|C<3>,1|H<1>}	122.0170	0.000	1	121.0490	1.874	2	119.7030	6.372	3	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a]-3:C[6]-2:H-1:	C[6](C[6]C[6,6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6])(H)	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{3|C<3>}	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[6,6a]C[6,6a,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	120.9900	0.000	1	120.9900	0.000	1	120.9900	0.000	1	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	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)	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,2|C<3>}	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>}	120.8320	0.000	1	120.8320	0.000	1	120.6760	0.863	5	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	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){3|C<3>}	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]C[6])(C[6]C[6])(H){1|H<1>,4|C<3>}	119.6530	0.000	1	119.6530	0.000	1	120.6760	0.863	5	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	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)	C[6](C[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,2|C<3>}	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>}	122.1350	0.000	1	121.1590	1.905	2	120.6760	0.863	5	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	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)	C[6](C[6]C[6,6a]H)(C[6]C[6]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>}	C[6](C[6]C[6,6a]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	120.1830	0.000	1	121.1590	1.905	2	120.6760	0.863	5	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	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){1|N<3>,2|C<3>}	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]N)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.5770	0.000	1	120.5770	0.000	1	120.6760	0.863	5	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	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){1|Cu<4>,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>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6])(H){1|H<1>,2|C<3>}	119.7340	0.000	1	119.7340	0.000	1	119.7340	0.000	1	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(Br)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]Br)(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])(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|Br<1>,2|C<3>}	119.9590	0.000	1	119.9590	0.000	1	119.9590	0.000	1	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:D-1:	C[6]-3:C[6]-2:D-1:	C[6](C[6]C[6]D)2	C[6](C[6]C[6]D)(C[6]C[6])(D)	C[6](C[6]C[6]W)(C[6]C[6])(D)	C[6](C[6]C[6]D)2{1|C<3>,1|D<1>,1|W<9>}	C[6](C[6]C[6]D)(C[6]C[6])(D){1|C<3>,2|D<1>}	C[6](C[6]C[6]W)(C[6]C[6])(D){1|C<3>,2|D<1>}	120.1260	0.000	1	120.1260	0.000	1	120.1260	0.000	1	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:D-1:	N[6]-3:C[6]-2:D-1:	C[6](C[6]C[6]D)(C[6]N[6]D)	C[6](C[6]C[6]D)(C[6]C[6])(D)	C[6](N[6]C[6]C)(C[6]C[6])(D)	C[6](C[6]C[6]D)(C[6]N[6]D){1|C<3>,1|C<4>,1|D<1>}	C[6](C[6]C[6]D)(C[6]C[6])(D){1|N<3>,2|D<1>}	C[6](N[6]C[6]C)(C[6]C[6])(D){1|C<3>,2|D<1>}	119.2770	0.000	1	119.2770	0.000	1	119.2770	0.000	1	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-2:F-1:	C[6](C[6]C[6]F)2	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]F)2{1|C<3>,1|C<4>,1|F<1>}	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])(F){1|C<3>,1|F<1>,1|H<1>}	109.5070	0.000	1	109.5070	0.000	1	118.9227	38.744	12	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-2:F-1:	C[6](C[6]C[6]F)2	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]F)2{1|C<3>,2|F<1>}	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)(C[6]C[6])(F){1|C<2>,1|C<3>,1|F<1>}	115.4140	0.000	1	122.1280	6.875	9	118.9227	38.744	12	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-2:F-1:	C[6](C[6]C[6]F)2	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]F)2{1|C<3>,2|F<1>}	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)(C[6]C[6])(F){1|C<3>,2|F<1>}	122.9673	0.783	8	122.1280	6.875	9	118.9227	38.744	12	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-2:F-1:	C[6](C[6]C[6]F)2	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]F)2{1|C<3>,2|H<1>}	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]H)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	109.2065	1.119	2	109.2065	1.253	2	118.9227	38.744	12	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]F)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]F)(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])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|F<1>}	118.3470	0.000	1	118.3470	0.000	1	118.3470	0.000	1	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H){1|H<1>,2|C<3>}	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]H)(C[6]C[6])(Br){1|C<3>,2|H<1>}	118.8260	1.800	2	118.8260	3.241	2	120.4430	9.465	3	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]N[6]N)(C[6]C[6])(H)	C[6](C[6]N[6]N)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H){3|N<3>}	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]N[6]N)(C[6]C[6])(Br){1|C<3>,2|H<1>}	123.6770	0.000	1	123.6770	0.000	1	120.4430	9.465	3	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	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>}	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	120.0957	0.510	3	119.8123	0.494	4	119.5763	0.853	6	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H){1|H<1>,2|C<3>}	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]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	118.9620	0.000	1	119.8123	0.494	4	119.5763	0.853	6	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(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|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	118.0770	0.000	1	118.0770	0.000	1	119.5763	0.853	6	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	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]P)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	120.1320	0.000	1	120.1320	0.000	1	119.5763	0.853	6	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:F-1:	C[6](C[6]C[6]F)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]F)(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|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(F){1|C<3>,2|H<1>}	119.4810	0.000	1	119.4810	0.000	1	118.6373	0.558	3	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:F-1:	C[6](C[6]C[6]F)(C[6]C[6]H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6]H){1|C<3>,1|H<1>,1|P<4>}	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]H)(C[6]C[6])(F){1|C<3>,2|H<1>}	118.2155	0.220	2	118.2155	0.048	2	118.6373	0.558	3	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[3]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.4100	0.000	1	121.4100	0.000	1	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[4]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.0160	0.000	1	121.0160	0.000	1	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2{3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	122.8530	0.000	1	122.8530	0.000	1	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.4540	0.000	1	119.5835	1.516	2	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	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)(C[6]C[6])(H){1|Ir<6>,1|C<3>,1|H<1>}	118.7130	0.000	1	119.5835	1.516	2	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|H<1>,2|C<3>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.3520	0.000	1	120.9120	1.827	3	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|H<1>,2|C<3>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.6540	0.000	1	120.9120	1.827	3	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|H<1>,2|C<3>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.7300	0.000	1	120.9120	1.827	3	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.9780	0.000	1	120.7507	0.653	6	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.3260	0.000	1	120.7507	0.653	6	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.3310	0.000	1	120.7507	0.653	6	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|H<1>,2|C<3>}	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)(C[6]C[6])(H){1|Te<2>,1|C<3>,1|H<1>}	120.2640	0.000	1	120.7507	0.653	6	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|H<1>,2|C<3>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.3025	1.148	2	120.7507	0.653	6	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]As)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{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>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.1075	0.388	2	120.1075	0.151	2	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{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>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.1554	2.062	5	120.1554	4.251	5	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Be)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|Be<3>,1|C<3>,1|H<1>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	122.3950	0.000	1	122.3950	0.000	1	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<2>,1|C<3>,1|H<1>}	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)(C[6]C[6])(H){1|C<3>,1|H<1>}	123.0160	0.000	1	120.2896	4.298	32	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{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|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	118.9820	0.000	1	120.2896	4.298	32	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{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|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	120.7525	0.537	2	120.2896	4.298	32	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{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>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.2970	1.718	13	120.2896	4.298	32	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	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)(C[6]C[6])(H){1|H<1>,2|C<3>}	119.1450	0.000	1	120.2896	4.298	32	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{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|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	119.7295	1.619	2	120.2896	4.298	32	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{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>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	120.8357	0.464	3	120.2896	4.298	32	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|H<1>,2|C<3>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.0880	3.196	9	120.2896	4.298	32	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Ga)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|Ga<3>,1|C<3>,1|H<1>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.9990	0.000	1	120.9990	0.000	1	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Ge)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{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>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.4110	0.000	1	119.4110	0.000	1	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<2>,2|H<1>}	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])(H){1|C<3>,1|H<1>}	119.7313	2.395	6	119.6784	9.866	96	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,2|H<1>}	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)(C[6]C[6])(H){1|As<4>,1|C<3>,1|H<1>}	120.6070	0.000	1	119.6784	9.866	96	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,2|H<1>}	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)(C[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	120.9790	0.000	1	119.6784	9.866	96	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,2|H<1>}	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)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	119.9818	0.849	21	119.6784	9.866	96	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,2|H<1>}	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)(C[6]C[6])(H){1|C<3>,1|C<5>,1|H<1>}	115.5950	3.998	2	119.6784	9.866	96	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,2|H<1>}	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])(H){1|C<3>,1|H<1>,1|N<3>}	122.0056	8.198	7	119.6784	9.866	96	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,2|H<1>}	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])(H){1|C<3>,1|H<1>,1|O<2>}	118.1280	0.000	1	119.6784	9.866	96	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,2|H<1>}	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)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<3>}	119.3550	0.000	1	119.6784	9.866	96	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,2|H<1>}	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])(H){1|C<3>,1|H<1>,1|P<4>}	119.9698	0.791	14	119.6784	9.866	96	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,2|H<1>}	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])(H){1|C<3>,1|H<1>,1|S<4>}	119.5520	0.000	1	119.6784	9.866	96	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,2|H<1>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.4900	2.865	29	119.6784	9.866	96	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,2|H<1>}	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)(C[6]C[6])(H){1|H<1>,2|C<3>}	118.1240	3.802	10	119.6784	9.866	96	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,2|H<1>}	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)(C[6]C[6])(H){1|Sn<4>,1|C<3>,1|H<1>}	120.1590	0.000	1	119.6784	9.866	96	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	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]C[6]H)2{1|C<3>,2|H<1>}	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)(C[6]C[6])(H){1|Sn<5>,1|C<3>,1|H<1>}	121.0800	0.000	1	119.6784	9.866	96	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<2>,1|H<1>,1|N<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]N)(C[6]C[6])(H){1|C<3>,1|H<1>}	121.4460	0.000	1	121.2000	0.865	9	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	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)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	120.9545	0.508	2	121.2000	0.865	9	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.7053	1.001	4	121.2000	0.865	9	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.9760	0.000	1	121.2000	0.865	9	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<4>}	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]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	119.6480	0.000	1	121.2000	0.865	9	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<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]O)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	119.1740	0.000	1	120.8316	2.810	5	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<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]O)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	121.8760	0.000	1	120.8316	2.810	5	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|O<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]O)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.0360	1.907	3	120.8316	2.810	5	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<2>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|H<1>}	120.5110	0.288	2	120.5078	1.036	37	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.3230	0.000	1	120.5078	1.036	37	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.5130	1.061	34	120.5078	1.036	37	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<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]S)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	121.0540	0.000	1	121.4356	0.323	5	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<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]S)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	121.2630	0.000	1	121.4356	0.323	5	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<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]S)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.2150	0.168	2	121.4356	0.323	5	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,2|H<1>}	122.4310	0.000	1	121.4356	0.323	5	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	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]N[6]H)(C[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	119.6450	0.000	1	119.0013	1.950	6	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{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>}	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	119.8310	0.000	1	119.0013	1.950	6	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	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]N[6]H)(C[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	120.0820	0.000	1	119.0013	1.950	6	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{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|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	116.3110	0.000	1	119.0013	1.950	6	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	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]N[6]H)(C[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>}	119.0695	0.483	2	119.0013	1.950	6	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]P[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|P<4>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.2720	0.000	1	120.2720	0.000	1	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Pd)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|Pd<4>,1|C<3>,1|H<1>}	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)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	118.7710	0.000	1	118.7710	0.000	1	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Sb)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|Sb<5>,1|C<3>,1|H<1>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.9450	0.526	2	120.9450	0.277	2	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Se)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|Se<2>,1|C<3>,1|H<1>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.9345	1.916	2	119.9345	3.669	2	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>,1|H<1>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.9213	3.422	8	121.9213	11.712	8	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Sn)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|Sn<4>,1|C<3>,1|H<1>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.1350	0.337	2	120.5270	0.317	4	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Sn)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|Sn<5>,1|C<2>,1|H<1>}	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)(C[6]C[6])(H){1|C<3>,1|H<1>}	121.2520	0.000	1	120.5270	0.317	4	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]Sn)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{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>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.5860	0.000	1	120.5270	0.317	4	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	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)(C[6]C[6])(H){1|C<3>,1|C<5>,1|H<1>}	121.9250	0.000	1	121.2770	0.840	2	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|H<1>,2|C<3>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.6290	0.000	1	121.2770	0.840	2	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6a]N[6])(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<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]N[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	117.6390	0.000	1	118.7225	2.348	2	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6a]N[6])(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{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>}	C[6](C[6]N[6]H)(C[6]C[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	119.8060	0.000	1	118.7225	2.348	2	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.2590	0.000	1	121.2590	0.000	1	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]N[6]Br)(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.6900	0.000	1	118.6900	0.000	1	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	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]N[6]H)(C[6]C[6])(H){1|Al<5>,1|C<3>,1|H<1>}	118.9510	0.000	1	119.5866	0.929	10	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	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]N[6]H)(C[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	118.8340	0.000	1	119.5866	0.929	10	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	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]N[6]H)(C[6]C[6])(H){1|Zn<4>,1|C<3>,1|H<1>}	120.5680	0.000	1	119.5866	0.929	10	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]N[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	118.6023	0.342	3	119.5866	0.929	10	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.6130	0.152	3	119.5866	0.929	10	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]N[6]C)(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>}	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]N[6]H)(C[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	119.8670	0.000	1	119.5866	0.929	10	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|N<2>,2|H<1>}	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	118.0030	0.000	1	119.0440	2.167	2	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|N<3>,2|H<1>}	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]N[6]H)(C[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	120.0850	0.000	1	119.0440	2.167	2	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]N[6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>}	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)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	121.6770	0.000	1	121.6770	0.000	1	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]Si[6]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|Si<4>,1|C<3>,1|H<1>}	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)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.6960	0.000	1	120.6960	0.000	1	120.1721	5.521	252	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)	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)	C[6](C[6]C[6]H)(C[6]C[6]I){1|C<3>,1|H<1>,1|N<3>}	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>,2|H<1>}	120.4480	0.000	1	120.4480	0.000	1	120.4480	0.000	1	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](N[6]C[6]C)(C[6]C[6])(H)	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)(C[6]C[6])(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.0405	0.371	4	120.1852	0.208	5	120.0661	0.323	10	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](N[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.7640	0.000	1	120.1852	0.208	5	120.0661	0.323	10	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6])(H){1|H<1>,2|C<3>}	119.4660	0.000	1	119.4660	0.000	1	120.0661	0.323	10	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](N[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,1|N<3>}	C[6](N[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	118.9740	0.000	1	118.9740	0.000	1	120.0661	0.323	10	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](N[6]C[6]Pd)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.2590	0.000	1	120.2590	0.000	1	120.0661	0.323	10	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](N[6]C[6]Zn)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.5390	0.000	1	120.5390	0.000	1	120.0661	0.323	10	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](N[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.4970	0.000	1	120.4970	0.000	1	120.0661	0.323	10	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:O-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<2>,1|C<3>,1|H<1>}	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])(H){1|C<3>,1|O<1>}	119.6150	0.000	1	119.6150	0.000	1	121.0457	1.535	3	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:O-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<2>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6])(O){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|O<1>}	121.7610	0.000	2	121.7610	0.000	2	121.0457	1.535	3	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:D-1:	C[6]-3:C[6]-2:D-1:	C[6](C[6]C[6]D)(C[6]N[6]D)	C[6](N[6]C[6]Pd)(C[6]C[6])(D)	C[6](C[6]C[6]D)(C[6]C[6])(D)	C[6](C[6]C[6]D)(C[6]N[6]D){1|Pd<4>,1|C<2>,1|D<1>}	C[6](N[6]C[6]Pd)(C[6]C[6])(D){1|C<3>,1|D<1>}	C[6](C[6]C[6]D)(C[6]C[6])(D){1|D<1>,1|N<3>}	120.7830	0.000	1	120.7830	0.000	1	120.7830	0.000	1	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]Cd)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H){1|Cd<6>,2|C<3>}	C[6](N[6]C[6]Cd)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|N<3>,2|H<1>}	119.4990	0.000	1	119.4990	0.000	1	119.1043	0.505	6	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]Co)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|N<3>,2|H<1>}	119.0880	0.000	1	119.0880	0.000	1	119.1043	0.505	6	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]Ni)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|C<3>,1|H<1>}	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]C[6])(H){1|H<1>,1|N<2>,1|N<3>}	119.2190	0.000	1	119.2190	0.000	1	119.1043	0.505	6	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]Pd)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,2|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|N<3>,2|H<1>}	119.4950	0.000	1	119.4950	0.000	1	119.1043	0.505	6	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]Pd)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|N<3>}	119.6140	0.000	1	119.6140	0.000	1	119.1043	0.505	6	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]Zn)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|C<3>,1|H<1>}	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]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	117.7110	0.000	1	117.7110	0.000	1	119.1043	0.505	6	120.1325	6.050	322	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	As-3:C[6]-2:C[6]-2:	C[6](C[6]C[6]As)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](AsC[6a]I)(C[6]C[6])2	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|As<3>,1|C<2>,1|H<1>}	C[6](AsC[6a]I)(C[6]C[6])2{1|C<3>,2|H<1>}	120.5790	0.277	2	120.5790	0.077	2	120.5790	0.077	2	118.9691	12.076	19	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC)	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[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]H)(C[6]C[6])(CC){1|C<3>,2|H<1>}	119.5870	0.000	1	119.5870	0.000	1	120.5675	1.923	2	118.9691	12.076	19	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]Cl)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC)	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<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CC){1|C<3>,2|H<1>}	121.5480	0.000	1	121.5480	0.000	1	120.5675	1.923	2	118.9691	12.076	19	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(NN)	C[6](C[6]C[6]H)(C[6]C[6]N){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|N<2>}	C[6](C[6]C[6]H)(C[6]C[6])(NN){1|C<3>,2|H<1>}	119.3670	0.000	1	119.3670	0.000	1	120.3945	2.112	2	118.9691	12.076	19	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(NC)	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	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])(NC){1|C<3>,2|H<1>}	121.4220	0.000	1	121.4220	0.000	1	120.3945	2.112	2	118.9691	12.076	19	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6])(OH)	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<4>,2|C<3>}	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]C)(C[6]C[6])(OH){1|C<3>,2|H<1>}	110.0690	0.515	2	110.0690	0.265	2	117.7338	20.975	9	118.9691	12.076	19	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O){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>}	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,2|H<1>}	119.5475	0.337	2	119.5475	0.114	2	117.7338	20.975	9	118.9691	12.076	19	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6])(OFe)	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>}	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]C)(C[6]C[6])(OFe){1|C<3>,2|H<1>}	123.4300	0.000	1	123.4300	0.000	1	117.7338	20.975	9	118.9691	12.076	19	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(OP)	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	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])(OP){1|C<3>,2|H<1>}	118.3350	0.000	1	118.3350	0.000	1	117.7338	20.975	9	118.9691	12.076	19	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>}	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])(OC){1|C<3>,2|H<1>}	119.8510	0.000	1	119.8510	0.000	1	117.7338	20.975	9	118.9691	12.076	19	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]N[5])(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>}	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])(OC){1|C<3>,2|H<1>}	118.8080	0.000	1	118.8080	0.000	1	117.7338	20.975	9	118.9691	12.076	19	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]O)(C[6]C[6])(H)	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){1|O<2>,2|C<3>}	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[6a]C[6])(C[6]C[6])(OP){2|H<1>,3|C<3>}	119.9470	0.000	1	119.9470	0.000	1	117.7338	20.975	9	118.9691	12.076	19	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]C[6])(SOs)	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|H<1>,1|S<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]S)(C[6]C[6])(SOs){1|C<3>,2|H<1>}	119.4317	2.347	4	119.4317	5.506	4	119.4317	5.506	4	118.9691	12.076	19	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6,6]H)(C[6]C[6]N)	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])(NCC)	C[6](C[6]C[6,6]H)(C[6]C[6]N){1|H<1>,2|C<3>}	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])(NCC){1|C<3>,1|H<1>,1|O<2>}	121.8720	0.000	1	121.8720	0.000	1	121.8720	0.000	1	120.3361	2.718	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]C)(C[6]C[6])(H)	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){1|Br<1>,1|C<3>,1|C<4>}	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]Br)(C[6]C[6])(NC[6]H){1|C<3>,2|H<1>}	122.4160	0.000	1	122.4160	0.000	1	120.4319	2.962	8	120.3361	2.718	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]C)(C[6]C[6])(H)	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){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|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	123.0130	0.000	1	123.0130	0.000	1	120.4319	2.962	8	120.3361	2.718	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,1|C<3>,1|H<1>}	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])(NOO){1|C<3>,2|H<1>}	118.7090	0.000	1	118.3695	0.231	2	120.4319	2.962	8	120.3361	2.718	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N){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|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(NOO){1|C<3>,2|H<1>}	118.0300	0.000	1	118.3695	0.231	2	120.4319	2.962	8	120.3361	2.718	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	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])(NCH){1|C<3>,2|H<1>}	119.3650	0.000	1	119.3650	0.000	1	120.4319	2.962	8	120.3361	2.718	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(NC[6]Cu)	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	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])(NC[6]Cu){1|C<3>,2|H<1>}	120.4060	0.000	1	120.4060	0.000	1	120.4319	2.962	8	120.3361	2.718	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(NPdC)	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	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])(NPdC){1|C<3>,2|H<1>}	120.9080	0.000	1	120.9080	0.000	1	120.4319	2.962	8	120.3361	2.718	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(NPdC)	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>}	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])(NPdC){1|C<3>,2|H<1>}	120.6080	0.000	1	120.6080	0.000	1	120.4319	2.962	8	120.3361	2.718	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:S-3:	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(SCO)	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,2|H<1>}	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])(SCO){1|C<3>,2|H<1>}	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	120.3361	2.718	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6])(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	118.3590	0.000	1	118.3590	0.000	1	118.3590	0.000	1	120.3361	2.718	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:S-4:	C[6](C[6]C[6,6a]H)(C[6]C[6]S)	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])(SO3)	C[6](C[6]C[6,6a]H)(C[6]C[6]S){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|S<4>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6])(SO3){1|H<1>,2|C<3>}	117.5330	0.000	1	117.5330	0.000	1	117.5330	0.000	1	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-2:S-4:	C[6](C[6]C[6]Br)(C[6]C[6]S)	C[6](C[6]C[6]O)(C[6]C[6])(Br)	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){1|C<3>,1|H<1>,1|O<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]H)(C[6]C[6])(SC[6]OO){2|Br<1>,1|C<3>}	119.5000	0.000	1	119.5000	0.000	1	119.5000	0.000	1	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:B-4:	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]C[6]H)(C[6]C[6])(BC[6a]3)	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)(C[6]C[6])(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3){1|C<3>,2|H<1>}	124.1030	0.000	1	124.1030	0.000	1	124.1030	0.000	1	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	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>}	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	119.8920	0.000	1	119.8920	0.000	1	120.2507	6.781	15	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	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>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	120.7660	0.000	1	120.7660	0.000	1	120.2507	6.781	15	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHS)	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>}	C[6](C[6]C[6]H)(C[6]C[6])(CHHS){1|C<3>,2|H<1>}	121.1410	0.000	1	121.1410	0.000	1	120.2507	6.781	15	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]Cl)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHNP)	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>}	C[6](C[6]C[6]H)(C[6]C[6])(CHNP){1|C<3>,2|H<1>}	122.0010	0.000	1	122.0010	0.000	1	120.2507	6.781	15	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	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]C[6]H)(C[6]C[6])(CC3)	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)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CC3){1|C<3>,2|H<1>}	121.0560	0.000	1	121.0560	0.000	1	120.2507	6.781	15	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	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]C[6]H)(C[6]C[6])(CCHH)	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)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	121.9170	0.000	1	121.9170	0.000	1	120.2507	6.781	15	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	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]C[6]H)(C[6]C[6])(CCHN)	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)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCHN){1|C<3>,2|H<1>}	120.6230	0.000	2	120.6230	0.000	2	120.2507	6.781	15	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	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]C[6]H)(C[6]C[6])(CCHP)	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)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCHP){1|C<3>,2|H<1>}	120.9390	0.000	1	120.9390	0.000	1	120.2507	6.781	15	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	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]C[6]H)(C[6]C[6])(CC[5]CH)	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)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CC[5]CH){1|C<3>,2|H<1>}	120.6530	0.000	1	120.6530	0.000	1	120.2507	6.781	15	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	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]C[6]H)(C[6]C[6])(CF3)	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)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CF3){1|C<3>,2|H<1>}	111.9930	0.000	1	111.9930	0.000	1	120.2507	6.781	15	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	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]C[6]H)(C[6]C[6])(CHHO)	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)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,2|H<1>}	118.3370	0.000	1	118.3370	0.000	1	120.2507	6.781	15	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	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]C[6]H)(C[6]C[6])(CN[5]CH)	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)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CN[5]CH){1|C<3>,2|H<1>}	121.1970	0.000	1	121.1970	0.000	1	120.2507	6.781	15	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	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]O)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	123.6940	0.000	1	123.6940	0.000	1	120.2507	6.781	15	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CF3)	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]S)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CF3){1|C<3>,2|H<1>}	118.9290	0.000	1	118.9290	0.000	1	120.2507	6.781	15	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:N-4:	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>}	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])(NH3){1|C<3>,2|H<1>}	119.2460	0.000	1	119.2460	0.000	1	119.2460	0.000	1	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:P-4:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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){1|C<3>,2|H<1>}	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])(PC[6a]3){1|C<3>,2|H<1>}	119.8420	0.000	1	119.8420	0.000	1	120.2207	0.126	3	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:P-4:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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){1|C<3>,2|H<1>}	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])(PN[5]NN){1|C<3>,2|H<1>}	120.2750	0.000	1	120.2750	0.000	1	120.2207	0.126	3	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:P-4:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(PNiCC)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	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])(PNiCC){1|C<3>,2|H<1>}	120.5450	0.000	1	120.5450	0.000	1	120.2207	0.126	3	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(SNOO)	C[6](C[6]C[6]H)(C[6]C[6]S){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>}	C[6](C[6]C[6]H)(C[6]C[6])(SNOO){1|C<3>,2|H<1>}	118.6640	0.955	2	118.6640	0.911	2	119.2826	0.611	5	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]C)(C[6]C[6])(H)	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){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>}	C[6](C[6]C[6]H)(C[6]C[6])(SN[5]OO){1|C<3>,2|H<1>}	119.4480	0.000	1	119.4480	0.000	1	119.2826	0.611	5	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]C)(C[6]C[6])(H)	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){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>}	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO){1|C<3>,2|H<1>}	120.1060	0.000	1	120.1060	0.000	1	119.2826	0.611	5	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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){1|C<3>,2|H<1>}	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])(SC[5]OO){1|C<3>,2|H<1>}	119.5310	0.000	1	119.5310	0.000	1	119.2826	0.611	5	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6])(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	120.5850	0.000	2	120.5850	0.000	2	119.6982	0.992	5	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6])(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6])(CHHN){1|C<3>,2|H<1>}	118.3180	0.000	1	118.3180	0.000	1	119.6982	0.992	5	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](N[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	119.9550	0.000	1	119.9550	0.000	1	119.6982	0.992	5	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](N[6]C[6]Pt)(C[6]C[6])(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	119.0480	0.000	1	119.0480	0.000	1	119.6982	0.992	5	119.9909	4.176	32	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:2:5:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-2:Si-5:	C[6](C[6]N[6]Si)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6])(SiCuC3)	C[6](C[6]N[6]Si)(C[6]C[6]H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Si<5>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6])(SiCuC3){1|C<3>,2|H<1>}	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	120.1110	0.000	1	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:As-3:C[6]-2:	C[6](C[6]C[6]As)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6])	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)(C[6]C[6])(H){1|As<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6]){1|C<3>,2|H<1>}	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:4:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C-4:C[6]-2:	C[6](C[6]C[6]Br)(C[6]C[6]C)	C[6](C[6]C[6]O)(C[6]C[6])(Br)	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|H<1>,1|O<1>}	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]H)(CC[6a]HH)(C[6]C[6]){2|Br<1>,1|C<3>}	121.3180	0.000	1	120.9225	0.313	2	120.9225	0.313	2	120.9049	0.986	8	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:4:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C-4:C[6]-2:	C[6](C[6]C[6]Br)(C[6]C[6]C)	C[6](C[6]C[6]O)(C[6]C[6])(Br)	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|H<1>,1|O<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]H)(CC[6a]HH)(C[6]C[6]){2|Br<1>,1|C<3>}	120.5270	0.000	1	120.9225	0.313	2	120.9225	0.313	2	120.9049	0.986	8	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:4:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:P-4:C[6]-2:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]Cl)(C[6]C[6])(H)	C[6](C[6]C[6]H)(PC[6]2Mo)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P){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>}	C[6](C[6]C[6]H)(PC[6]2Mo)(C[6]C[6]){1|C<3>,2|H<1>}	120.4930	0.000	1	120.4930	0.000	1	120.8990	1.318	6	120.9049	0.986	8	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:4:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:P-4:C[6]-2:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(PC[6]MoC)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	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)(PC[6]MoC)(C[6]C[6]){1|C<3>,2|H<1>}	122.8420	0.000	1	122.8420	0.000	1	120.8990	1.318	6	120.9049	0.986	8	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:4:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:P-4:C[6]-2:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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){1|C<3>,2|H<1>}	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)(PC[6a]2N)(C[6]C[6]){1|C<3>,2|H<1>}	120.7395	0.998	2	120.7395	0.995	2	120.8990	1.318	6	120.9049	0.986	8	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:4:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:P-4:C[6]-2:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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){1|C<3>,2|H<1>}	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)(PC[6a]2O)(C[6]C[6]){1|C<3>,2|H<1>}	120.9470	0.000	1	120.9470	0.000	1	120.8990	1.318	6	120.9049	0.986	8	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	3:4:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:P-4:C[6]-2:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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){1|C<3>,2|H<1>}	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)(PC[6a]CI)(C[6]C[6]){1|C<3>,2|H<1>}	119.6330	0.000	1	119.6330	0.000	1	120.8990	1.318	6	120.9049	0.986	8	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	4:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-4:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]CH)(C[6]C[6])(H)	C[6](C[6]C[6]H)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>}	C[6](C[6]C[6]CH)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.3410	0.000	1	120.3410	0.000	1	120.3410	0.000	1	120.3410	0.000	1	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:1:	4:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	P-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](PC[6]MoC)(C[6]C[6])2	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|H<1>,1|P<4>}	C[6](PC[6]MoC)(C[6]C[6])2{1|C<3>,2|H<1>}	121.1340	0.419	2	121.1340	0.175	2	121.1340	0.175	2	121.1340	0.175	2	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:1:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-2:I-2:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6,6]I)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(IC[6a])	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){2|C<3>}	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])(C[6]C[6])(H){1|I<2>,2|C<3>}	119.2270	0.000	1	119.2270	0.000	1	119.2270	0.000	1	119.0292	10.212	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-2:	C[6]-2:C[6]-2:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6])2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C){1|C<3>,1|O<3>}	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|Br<1>,2|C<2>}	C[6](C[6]C[6])2(Br){1|C<3>,2|C<2>}	120.7825	0.334	6	120.7825	0.112	6	120.7825	0.112	6	119.0292	10.212	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-2:	C[6]-2:C[6]-2:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6])(CC)	C[6](C[6]C[6])2(O)	C[6](C[6]C[6]C)(C[6]C[6]O){2|C<3>}	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])2(O){1|C<2>,1|C<3>,1|O<2>}	113.4910	0.000	1	113.4910	0.000	1	113.4910	0.000	1	119.0292	10.212	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:O-2:	C[6]-2:C[6]-2:O-1:	C[6](C[6]C[6]O)2	C[6](C[6]C[6]C)(C[6]C[6])(OH)	C[6](C[6]C[6])2(O)	C[6](C[6]C[6]O)2{2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(OH){1|O<1>,2|C<2>}	C[6](C[6]C[6])2(O){1|C<2>,1|C<3>,1|O<2>}	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	119.0292	10.212	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:S-2:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]C[6]S)(C[6]C[6])(SRu)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6]S){1|C<3>,1|S<2>}	C[6](C[6]C[6]S)(C[6]C[6])(SRu){1|C<2>,2|H<1>}	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>,1|S<2>}	120.6590	0.000	1	120.6590	0.000	1	120.6590	0.000	1	119.0292	10.212	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:S-2:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)	C[6](N[6]C[6]Rh)(C[6]C[6])(SC[6])	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]N[6]S){1|Rh<6>,1|C<3>}	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])2(H){1|N<3>,2|S<2>}	119.2690	0.000	1	119.2690	0.000	1	119.2690	0.000	1	119.0292	10.212	11	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	2:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-2:	C[6]-2:C[6]-2:C-4:	C[6](C[6]C[6]C)2	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6])2(CC3)	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>,2|C<4>}	C[6](C[6]C[6])2(CC3){1|C<2>,1|C<3>,1|C<4>}	122.8745	0.731	4	122.8745	0.534	4	122.8745	0.534	4	122.8745	0.534	4	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:N-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6])(NP[5])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,2|H<1>}	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])(H){1|C<3>,1|N<2>}	121.6010	0.000	1	121.6010	0.000	1	121.6010	0.000	1	119.3482	4.287	6	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]2)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|C<3>}	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])(H){1|C<3>,2|O<2>}	118.6630	0.000	1	118.6630	0.000	1	119.5920	1.726	2	119.3482	4.287	6	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	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])(H){1|C<3>,1|N<4>,1|O<2>}	120.5210	0.000	1	120.5210	0.000	1	119.5920	1.726	2	119.3482	4.287	6	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:S-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)	C[6](C[6]N[6]S)(C[6]C[6])(SNi)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]N[6]S)(C[6]C[6])(SNi){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,1|S<2>}	120.4320	0.000	1	120.4320	0.000	1	120.4320	0.000	1	119.3482	4.287	6	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-2:C[6]-2:	C[6,6a]-3:C[6]-2:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6])	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){4|C<3>}	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[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|N<2>,3|C<3>}	119.1720	0.000	1	119.1720	0.000	1	119.1720	0.000	1	119.3482	4.287	6	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:N[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)	C[6](N[6]C[6]2)(C[6]C[6])(N[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]2){1|C<3>,1|H<1>,2|C<4>}	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]C[6])(H){1|H<1>,1|N<2>,1|N<3>}	115.7000	0.000	1	115.7000	0.000	1	115.7000	0.000	1	119.3482	4.287	6	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[5]-3:C[6]-2:C[6]-2:	C[5]-3:C[6]-2:C[6]-2:	C[6](C[6]C[5]C[6])2	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[6](C[5]C[5]N[5])(C[6]C[6])2	C[6](C[6]C[5]C[6])2{2|N<3>,3|C<3>}	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[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>}	120.2257	0.086	3	120.2257	0.007	3	120.2257	0.007	3	119.8785	0.487	4	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-2:N[6]-2:	C[6a]-3:C[6]-2:N[6]-2:	C[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6])(N[6]C[6])	C[6](C[6]C[6a]N[6])2{1|N<2>,4|C<3>}	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[6a]C[6a]2)(C[6]C[6])(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	118.8370	0.000	1	118.8370	0.000	1	118.8370	0.000	1	119.8785	0.487	4	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	3:2:3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-2:N[6]-2:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)	C[6](C[6a]C[6a]N[6a])(C[6]C[6])(N[6]C[6])	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){1|H<1>,1|N<2>,2|C<3>}	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[6]H)(C[6]C[6])(COO){1|C<3>,1|H<1>,1|N<2>}	119.1500	0.000	1	119.1500	0.000	1	119.1500	0.000	1	119.1500	0.000	1	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:2:	4:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-2:	P-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]C)(C[6]C[6]P)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6])	C[6](PC[6]2Pd)(C[6]C[6])2	C[6](C[6]C[6]C)(C[6]C[6]P){1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]){1|P<4>,2|C<2>}	C[6](PC[6]2Pd)(C[6]C[6])2{1|C<3>,2|C<2>}	120.4460	0.694	4	120.4460	0.481	4	120.4460	0.481	4	120.4460	0.481	4	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]N)(C[6]C[6])(CCH)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<4>}	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])2(H){1|C<4>,2|C<3>}	122.6570	0.000	1	122.6570	0.000	1	122.6570	0.000	1	119.6370	8.674	3	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:S-3:	C[6]-2:C[6]-2:C-1:	C[6](C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]C[6]S)(C[6]C[6])(SFe2)	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6]S){1|C<2>,1|S<3>}	C[6](C[6]C[6]S)(C[6]C[6])(SFe2){1|C<1>,1|C<2>}	C[6](C[6]C[6])2(C){1|C<3>,1|S<3>}	116.7730	0.000	1	116.7730	0.000	1	116.7730	0.000	1	119.6370	8.674	3	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	2:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:C-3:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](N[6]C[6]Pd)(C[6]C[6])(CNO)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]N[6]C){1|Pd<4>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6])(CNO){1|C<2>,2|H<1>}	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>,1|N<3>}	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	119.6370	8.674	3	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6,6]-3:C[6]-2:N-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6,6]N)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NZnC)	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){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NZnC){1|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6])(H){1|N<3>,2|C<3>}	122.3410	0.000	1	122.3410	0.000	1	122.3410	0.000	1	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6])(COO)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]2)(C[6]C[6])(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	120.6810	0.000	1	120.6810	0.000	1	120.8952	2.835	22	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	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[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)(C[6]C[6])(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|H<1>,2|C<3>}	121.2120	0.000	1	121.2120	0.000	1	120.8952	2.835	22	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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)(C[6]C[6])(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	124.8690	0.000	1	121.4278	3.708	5	120.8952	2.835	22	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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)(C[6]C[6])(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.5675	0.101	4	121.4278	3.708	5	120.8952	2.835	22	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(CCO)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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)(C[6]C[6])(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.3380	0.000	1	120.3380	0.000	1	120.8952	2.835	22	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[5a]2)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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)(C[6]C[6])(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	117.6250	0.000	1	117.6250	0.000	1	120.8952	2.835	22	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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)(C[6]C[6])(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	119.0310	0.000	1	119.0310	0.000	1	120.8952	2.835	22	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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)(C[6]C[6])(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	121.0367	0.687	3	121.0367	0.472	3	120.8952	2.835	22	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<2>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	118.7170	0.000	1	121.6499	2.166	7	120.8952	2.835	22	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	122.0060	0.780	5	121.6499	2.166	7	120.8952	2.835	22	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	122.8020	0.000	1	121.6499	2.166	7	120.8952	2.835	22	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]Te)(C[6]C[6])(CHN)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H){1|Te<5>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Te)(C[6]C[6])(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	121.3490	0.000	1	121.3490	0.000	1	120.8952	2.835	22	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(C[6]C[6])(CNO)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H){1|N<2>,2|H<1>}	C[6](C[6]N[6]H)(C[6]C[6])(CNO){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(C[6]C[6])(H){2|C<3>}	117.6600	0.000	1	117.6600	0.000	1	120.8952	2.835	22	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(CNO)	C[6](N[6]C[6]Ag)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]N[6]H){1|Ag<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CNO){1|N<3>,2|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6])(H){1|H<1>,2|C<3>}	119.7950	0.000	1	119.7950	0.000	1	119.7950	0.000	1	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:N-3:	C[6,6]-3:C[6]-2:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]N)	C[6](C[6]C[6,6]O)(C[6]C[6])(NC[6]Ni)	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){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6])(NC[6]Ni){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(O){1|C<3>,1|N<3>,2|C<2>}	122.4760	0.000	1	122.4760	0.000	1	122.4760	0.000	1	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6])(NCH)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<3>,2|H<1>}	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])(H){1|C<3>,2|N<3>}	119.2170	0.000	1	119.2170	0.000	1	119.2170	0.000	1	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](N[6]C[6]Co)(C[6]C[6])(CCN)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C){1|Co<5>,1|C<3>,1|H<1>}	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]C[6])(H){1|N<3>,2|C<3>}	117.7100	0.000	1	117.7100	0.000	1	117.7005	0.000	2	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)	C[6](N[6]C[6]Zn)(C[6]C[6])(CHN)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C){1|Zn<6>,1|C<3>,1|H<1>}	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]C[6])(H){1|N<3>,2|C<3>}	117.6910	0.000	1	117.6910	0.000	1	117.7005	0.000	2	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Ni)(C[6]C[6])(NCO)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]N){1|Ni<6>,1|C<3>,1|H<1>}	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]C[6])(H){1|H<1>,2|N<3>}	119.0160	0.000	1	119.0160	0.000	1	119.3293	0.074	3	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]Ru)(C[6]C[6])(NC[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]N){1|Ru<9>,1|C<3>,1|H<1>}	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]C[6])(H){1|H<1>,2|N<3>}	119.4860	0.000	2	119.4860	0.000	2	119.3293	0.074	3	120.5455	3.076	31	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]O)(C[6]C[6])(CCC)	C[6](C[6]C[6]C)(C[6]C[6])(OC)	C[6](C[6]C[6]C)(C[6]C[6]O){1|C<2>,1|C<3>,1|O<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])(OC){2|C<3>}	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6])(COO)	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(NOO){3|C<3>}	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	120.0875	3.934	2	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]N)2	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]O)(C[6]C[6])(NOO)	C[6](C[6]C[6]N)2{1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6])(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]O)(C[6]C[6])(NOO){1|C<3>,2|N<3>}	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	120.0875	3.934	2	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]N)(C[6]C[6])(CH3)	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<4>}	C[6](C[6]C[6]N)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6])2(H){1|C<4>,2|C<3>}	123.5510	0.000	1	123.5510	0.000	1	123.5510	0.000	1	123.5510	0.000	1	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	2:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-2:C[6]-2:C-4:	C[6](C[6]C[6]C)2	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH)	C[6](C[6]C[6])2(CCCH)	C[6](C[6]C[6]C)2{1|B<3>,1|C<3>}	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH){1|C<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6])2(CCCH){1|C<3>,2|C<4>}	121.5520	0.020	2	121.5520	0.000	2	122.2734	5.204	18	122.2734	5.204	18	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	2:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-2:C[6]-2:C-4:	C[6](C[6]C[6]C)2	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3)	C[6](C[6]C[6])2(CH3)	C[6](C[6]C[6]C)2{2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|N<2>,2|C<4>}	C[6](C[6]C[6])2(CH3){1|C<3>,2|C<4>}	123.9655	0.428	2	123.9655	0.183	2	122.2734	5.204	18	122.2734	5.204	18	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	2:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-2:C[6]-2:C-4:	C[6](C[6]C[6]C)2	C[6](C[6]C[6]N[5])(C[6]C[6])(CH3)	C[6](C[6]C[6])2(CH3)	C[6](C[6]C[6]C)2{1|C<3>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6])(CH3){1|C<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6])2(CH3){1|C<3>,2|C<4>}	121.3077	0.943	4	121.3077	0.889	4	122.2734	5.204	18	122.2734	5.204	18	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	2:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-2:C[6]-2:C-4:	C[6](C[6]C[6]C)2	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C[6](C[6]C[6])2(CC3)	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<4>,2|C<2>}	C[6](C[6]C[6])2(CC3){1|C<2>,1|C<3>,1|C<4>}	125.4410	0.683	4	125.4410	0.467	4	122.2734	5.204	18	122.2734	5.204	18	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	2:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-2:C[6]-2:C-4:	C[6](C[6]C[6]C)2	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C[6](C[6]C[6])2(CH3)	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<2>,2|C<4>}	C[6](C[6]C[6])2(CH3){1|C<3>,2|C<4>}	119.8822	1.805	4	119.8822	3.259	4	122.2734	5.204	18	122.2734	5.204	18	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	2:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-2:C[6]-2:C-4:	C[6](C[6]C[6]C)2	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH)	C[6](C[6]C[6])2(CCCH)	C[6](C[6]C[6]C)2{1|C<3>,1|N<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH){1|B<3>,1|C<2>,1|C<3>,2|C<4>}	C[6](C[6]C[6])2(CCCH){1|C<3>,2|C<4>}	121.6815	0.480	2	121.6815	0.231	2	122.2734	5.204	18	122.2734	5.204	18	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	122.1380	0.000	1	122.1380	0.000	1	121.2321	1.320	8	120.9749	1.751	9	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C[6](C[6]C[6]C)(C[6]C[6])(H)	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)(C[6]C[6])(CCHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>}	119.1520	0.000	1	119.1520	0.000	1	121.2321	1.320	8	120.9749	1.751	9	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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)(C[6]C[6])(CCHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>}	121.8150	0.000	1	121.8150	0.000	1	121.2321	1.320	8	120.9749	1.751	9	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	C[6](C[6]C[6]O)(C[6]C[6])(H)	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])(CHHO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>}	119.8660	0.000	1	119.8660	0.000	1	121.2321	1.320	8	120.9749	1.751	9	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]N)(C[6]C[6])(CCCH)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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]N)(C[6]C[6])(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	120.9300	0.000	1	120.9300	0.000	1	121.2321	1.320	8	120.9749	1.751	9	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]N[5])(C[6]C[6])(CCCH)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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]N[5])(C[6]C[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	121.9590	0.000	1	121.9590	0.000	1	121.2321	1.320	8	120.9749	1.751	9	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)(C[6]C[6])(H)	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]O)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	121.7820	0.000	1	121.7820	0.000	1	121.2321	1.320	8	120.9749	1.751	9	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]N[6]H)(C[6]C[6])(CH3)	C[6](C[6]N[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	122.2150	0.000	1	122.2150	0.000	1	121.2321	1.320	8	120.9749	1.751	9	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:N-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6])(NH3)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6])(NH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|N<4>}	118.9170	0.000	1	118.9170	0.000	1	118.9170	0.000	1	120.9749	1.751	9	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:3:	C[6]-3:C[6]-3:	N[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)	C[6](N[6]C[6]Ni)(C[6]C[6])(CHHO)	C[6](C[6]C[6]H)(C[6]C[6])(NCO)	C[6](C[6]C[6]N)(C[6]N[6]C){1|Ni<6>,1|C<2>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6])(CHHO){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(NCO){1|C<4>,1|N<3>}	118.9900	0.000	1	118.9900	0.000	1	118.9900	0.000	1	118.9900	0.000	1	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:B-4:	C[6](C[6]C[6]B)(C[6]C[6]C)	C[6](C[6]C[6]H)(C[6]C[6])(CF3)	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3)	C[6](C[6]C[6]B)(C[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CF3){1|B<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3){1|C<3>,2|C<4>}	121.2440	0.000	1	121.2440	0.000	1	121.2440	0.000	1	122.6554	2.200	8	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2	C[6](C[6]C[6]C)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2{1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>}	121.9500	0.000	1	121.9500	0.000	1	123.3592	1.248	5	122.6554	2.200	8	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	124.1530	0.000	1	123.2960	1.469	2	123.3592	1.248	5	122.6554	2.200	8	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	122.4390	0.000	1	123.2960	1.469	2	123.3592	1.248	5	122.6554	2.200	8	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]P)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2{1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]P)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	124.5450	0.000	1	124.5450	0.000	1	123.3592	1.248	5	122.6554	2.200	8	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH)	C[6](C[6]C[6]C)2{1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	123.7090	0.000	1	123.7090	0.000	1	123.3592	1.248	5	122.6554	2.200	8	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:N-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(C[6]C[6])(NH3)	C[6](C[6]C[6]N)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|N<4>}	C[6](C[6]C[6]C)(C[6]C[6])(NH3){1|C<3>,1|C<4>}	C[6](C[6]C[6]N)(C[6]C[6])(CH3){1|C<3>,1|N<4>}	120.2380	0.000	1	120.2380	0.000	1	120.2380	0.000	1	122.6554	2.200	8	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:P-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]P)	C[6](C[6]C[6]N)(C[6]C[6])(PTiCC)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]P){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6])(PTiCC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|H<1>,1|P<4>}	122.9650	0.000	1	122.9650	0.000	1	122.9650	0.000	1	122.6554	2.200	8	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:2:4:	4:2:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C-4:C[6]-2:C[6]-2:	C[6](C[6]C[6]C)2	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C[6](CC[6a]CH)(C[6]C[6])2	C[6](C[6]C[6]C)2{1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<2>,2|C<4>}	C[6](CC[6a]CH)(C[6]C[6])2{1|C<3>,2|C<4>}	122.2420	0.091	2	122.2420	0.008	2	122.2420	0.008	2	122.2420	0.008	2	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	C[6]-2:N[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6])(N[6]C[6])(H){1|H<1>,2|C<3>}	116.3610	0.000	1	116.4190	0.007	2	116.4190	0.007	2	118.9132	5.614	5	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	C[6]-2:N[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<3>,1|H<1>,2|C<2>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6])(N[6]C[6])(H){2|C<3>}	116.4770	0.000	1	116.4190	0.007	2	116.4190	0.007	2	118.9132	5.614	5	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:N-3:C[6]-2:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6]H)(NC[6a]Si)(C[6]C[6])	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6]N){1|C<2>,1|H<1>}	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])2(H){1|C<3>,1|N<3>}	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	118.9132	5.614	5	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-2:N[6]-2:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6])(N[6]C[6])(H){1|H<1>,2|C<3>}	120.6390	1.300	2	120.6390	1.689	2	120.6390	1.689	2	118.9132	5.614	5	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:3:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-2:N[6]-2:C-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6])(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6])(N[6]C[6])(COO){3|C<3>}	118.4670	0.000	1	118.4670	0.000	1	118.4670	0.000	1	118.4670	0.000	1	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6])	C[6](C[6]C[6])2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C){1|Ni<4>,1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]){1|C<4>,2|C<2>,2|C<3>}	C[6](C[6]C[6])2(CC3){1|N<3>,2|C<3>}	117.9875	1.217	2	119.7145	5.091	4	119.7145	5.091	4	119.7145	5.091	4	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	2:2:4:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-2:	C[6]-2:C[6]-2:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6])	C[6](C[6]C[6])2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C){1|Ni<4>,1|N<3>,2|C<2>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]){1|C<2>,1|C<4>,2|C<3>}	C[6](C[6]C[6])2(CC3){1|C<3>,1|N<3>}	121.4415	1.364	2	119.7145	5.091	4	119.7145	5.091	4	119.7145	5.091	4	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	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]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	121.5880	0.000	1	121.5880	0.000	1	121.5695	0.001	2	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<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]O)(C[6]C[6])(H){1|H<1>,2|C<3>}	121.5510	0.000	1	121.5510	0.000	1	121.5695	0.001	2	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6])	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){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	118.7720	0.000	1	118.7720	0.000	1	118.7055	0.009	2	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(C[6]C[6])	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){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	118.6390	0.000	1	118.6390	0.000	1	118.7055	0.009	2	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6]){1|H<1>,2|C<2>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	120.2470	0.000	1	120.2470	0.000	1	120.4177	0.184	3	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Pd)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	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>}	C[6](C[6]C[6]N[6])(C[6]C[6]Pd)(C[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.1000	0.000	1	120.1000	0.000	1	120.4177	0.184	3	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]Se[6]C[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H){1|Se<2>,1|C<2>,1|C<3>,2|H<1>}	C[6](C[6]Se[6]C[6])(C[6]C[6]H)(C[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.9060	0.000	1	120.9060	0.000	1	120.4177	0.184	3	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](N[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]C)(C[6]C[6])(H){1|H<1>,2|C<3>}	121.3490	0.000	1	121.3490	0.000	1	120.5717	0.851	3	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](N[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.8140	0.000	1	120.1830	0.796	2	120.5717	0.851	3	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](N[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	119.5520	0.000	1	120.1830	0.796	2	120.5717	0.851	3	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-2:	C[5,6]-3:C[6]-2:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6])	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){1|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6])(H){1|C<4>,4|C<3>}	120.9570	0.000	1	120.9570	0.000	1	120.9570	0.000	1	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[4]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[4])(C[6]C[6]H)	C[6](C[6]C[6]H)(N[4]C[4]2)(C[6]C[6])	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){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(N[4]C[4]2)(C[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	119.8970	0.000	1	119.8970	0.000	1	119.8970	0.000	1	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[5]-3:C[6]-2:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[5])(C[6]N[6]H)	C[6](C[6]C[6]Ir)(N[5]C[5]2)(C[6]C[6])	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){2|Ir<8>,3|C<3>}	C[6](C[6]C[6]Ir)(N[5]C[5]2)(C[6]C[6]){1|C<3>,2|N<3>,3|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.8010	0.000	1	117.8010	0.000	1	117.8010	0.000	1	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-2:Br-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Br)	C[6](C[6]C[6]H)(N[6]C[6]2)(C[6]C[6])	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){2|H<1>,3|C<3>}	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]H)(C[6]C[6])(Br){1|C<3>,1|H<1>,1|N<3>}	118.8810	0.000	1	118.8810	0.000	1	118.8810	0.000	1	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6])	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){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	121.3175	0.450	2	121.3175	0.203	2	121.3175	0.203	2	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-2:	N[6]-3:C[6]-2:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6])	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){1|Mn<6>,1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6])(H){2|C<3>}	119.8680	0.000	1	119.8680	0.000	1	119.8680	0.000	1	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6])	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){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	121.8440	0.000	1	121.8440	0.000	1	120.1637	2.290	3	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Co)(C[6]C[6])	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){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Co)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	119.7390	0.000	1	119.7390	0.000	1	120.1637	2.290	3	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(C[6]C[6])	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){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	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[6]H)(C[6]C[6])(H){1|C<3>,1|N<3>}	118.9080	0.000	1	118.9080	0.000	1	120.1637	2.290	3	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]N[5a]C[6])(C[6]C[6]H)	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)	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>}	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|N<3>,3|C<3>}	118.1730	0.000	1	118.1730	0.000	1	118.1730	0.000	1	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]Pd)(C[6]C[6]2)(C[6]C[6])	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){1|Pd<4>,1|C<2>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]2)(C[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	119.6380	0.000	1	119.6380	0.000	1	119.6380	0.000	1	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:	P[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]P[6])(C[6]C[6]H)	C[6](P[6]C[6,6a]2)(C[6]C[6]H)(C[6]C[6])	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){2|H<1>,3|C<3>}	C[6](P[6]C[6,6a]2)(C[6]C[6]H)(C[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<3>}	122.9570	0.000	1	122.9570	0.000	1	122.9570	0.000	1	120.2094	1.747	23	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-2:C[6]-2:	C[6](C[6]C[6]N[6])(C[6]C[6]2)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6])2	C[6](C[6]C[6]N[6])(C[6]C[6]2){1|Pt<4>,1|C<3>,1|N<3>,3|C<2>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]){2|C<3>,3|C<2>}	C[6](C[6]C[6]2)(C[6]C[6])2{1|N<3>,2|C<2>,2|C<3>}	117.9125	0.600	2	117.9125	0.360	2	117.9125	0.360	2	118.9350	3.317	3	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	N[5]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]N[5])(C[6]C[6]O)	C[6](N[5]C[5,6]C[5])(C[6]C[6]H)(C[6]C[6])	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){1|C<4>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6]C[5])(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[4a]C[6])(C[6]C[6])(OH){1|N<3>,1|O<2>,3|C<3>}	120.9800	0.000	1	120.9800	0.000	1	120.9800	0.000	1	118.9350	3.317	3	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:N[6]-3:C[6]-2:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6]){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]){1|H<1>,5|C<3>}	120.3850	0.000	1	120.3850	0.000	1	120.3850	0.000	1	121.0142	4.899	6	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-2:	C[6a]-3:C[6]-3:C[6]-2:	C[6](C[6]C[6a]C[6])2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6a]C[6])2{2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	121.1400	2.451	5	121.1400	6.005	5	121.1400	6.005	5	121.0142	4.899	6	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:4:2:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:P-4:C[6]-2:	C[6]-2:C[6]-2:C-1:	C[6](C[6]C[6]C)(C[6]C[6]P)	C[6](C[6]C[6]N)(PC[6]2Ir)(C[6]C[6])	C[6](C[6]C[6])2(C)	C[6](C[6]C[6]C)(C[6]C[6]P){1|C<2>,1|N<4>}	C[6](C[6]C[6]N)(PC[6]2Ir)(C[6]C[6]){1|C<1>,1|C<2>}	C[6](C[6]C[6])2(C){1|C<3>,1|P<4>}	120.0045	0.175	2	120.0045	0.031	2	120.0045	0.031	2	119.9910	0.016	3	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:4:2:	2:2:1:	C[6]-3:C[6]-3:	C[6]-3:P-4:C[6]-2:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(PC[6]ReO)(C[6]C[6])	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(PC[6]ReO)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>,1|P<4>}	119.9640	0.000	1	119.9640	0.000	1	119.9640	0.000	1	119.9910	0.016	3	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:4:2:	3:2:1:	C[6]-3:C[6]-3:	C[6,6a]-3:P-4:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6,6a]P)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(PC[6a]C[6]Sb)(C[6]C[6])	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){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(PC[6a]C[6]Sb)(C[6]C[6]){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6])(H){1|P<4>,2|C<3>}	120.9900	0.000	1	120.9900	0.000	1	120.9900	0.000	1	120.1117	0.843	3	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:4:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:C-4:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(CC[6a]2O)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	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)(CC[6a]2O)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	120.1870	0.000	1	120.1870	0.000	1	120.1870	0.000	1	120.1117	0.843	3	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:4:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](C[6]C[6]H)(PC[6]PdO)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(PC[6]PdO)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>}	119.1580	0.000	1	119.1580	0.000	1	119.1580	0.000	1	120.1117	0.843	3	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	3:4:2:	3:2:4:	C[6]-3:C[6]-3:	C[6]-3:C-4:C[6]-2:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C[6](C[6]C[6]N)(C[6]C[6])(CCCH)	C[6](C[6]C[6]C)2{1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){1|C<3>,2|C<4>}	C[6](C[6]C[6]N)(C[6]C[6])(CCCH){1|C<3>,2|C<4>}	118.7730	0.000	1	118.7730	0.000	1	118.7730	0.000	1	118.7730	0.000	1	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-4:C[6]-2:Br-1:	C[6]-3:C[6]-2:O-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)	C[6](C[6]C[6]CN)(C[6]C[6])(Br)	C[6](C[6]C[6]H)(C[6]C[6])(O)	C[6](C[6]C[6]Br)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	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]H)(C[6]C[6])(O){1|Br<1>,1|C<4>,1|H<1>}	121.5220	0.000	1	121.5220	0.000	1	121.5220	0.000	1	120.6195	1.629	2	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:2:1:	3:2:1:	C[6]-3:C[6]-3:	C[6]-4:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2	C[6](C[6]C[6]AlH)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2{1|Al<7>,1|C<3>,1|H<1>,1|H<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)(C[6]C[6])(H){1|C<4>,2|H<1>}	119.7170	0.000	1	119.7170	0.000	1	119.7170	0.000	1	120.6195	1.629	2	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:2:1:	3:2:4:	C[6]-3:C[6]-3:	C[6]-4:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]ZrN)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H){1|Zr<13>,1|C<3>,1|H<1>,1|N<3>}	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]H)(C[6]C[6])(CH3){1|C<4>,2|H<1>}	120.8480	0.000	1	120.8480	0.000	1	120.8480	0.000	1	120.8480	0.000	1	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:2:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-4:C[6]-2:O[6]-2:	C[6]-3:C[6]-2:O-1:	C[6](C[6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[6]S[6]C)(C[6]C[6])(O[6]C[6])	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){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]S[6]C)(C[6]C[6])(O[6]C[6]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>}	120.3810	0.000	1	120.3810	0.000	1	120.3810	0.000	1	120.3810	0.000	1	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	2:2:1:	C[6]-3:C[6]-3:	Ge-4:C[6]-3:C[6]-2:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]Ge)(C[6]C[6]H)	C[6](GeC[6a]2Pt)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]Ge)(C[6]C[6]H){1|C<3>,1|H<1>}	C[6](GeC[6a]2Pt)(C[6]C[6]H)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6])2(H){1|Ge<4>,1|C<3>,1|H<1>}	120.2420	0.000	1	120.2420	0.000	1	120.2420	0.000	1	120.9533	0.831	3	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	2:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6a]IrC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,1|H<1>}	C[6](PC[6a]IrC)(C[6]C[6]H)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6])2(H){1|C<3>,1|H<1>,1|P<4>}	120.6370	0.000	1	120.6370	0.000	1	120.6370	0.000	1	120.9533	0.831	3	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	2:2:1:	C[6]-3:C[6]-3:	Si-4:C[6]-3:C[6]-2:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]Si)(C[6]C[6]H)	C[6](SiC[6a]2C)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6])2(H)	C[6](C[6]C[6]Si)(C[6]C[6]H){1|C<3>,1|H<1>}	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])2(H){1|Si<4>,1|C<3>,1|H<1>}	121.9810	0.000	1	121.9810	0.000	1	121.9810	0.000	1	120.9533	0.831	3	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	As-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]As)(C[6]C[6]H)	C[6](AsC[6]2Pd)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](AsC[6]2Pd)(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])(H){1|As<4>,1|C<3>,1|H<1>}	120.4450	0.000	1	120.4450	0.000	1	120.2607	0.093	3	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	As-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]As)(C[6]C[6]H)	C[6](AsC[6a]MoO)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]As)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](AsC[6a]MoO)(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])(H){1|As<4>,1|C<3>,1|H<1>}	120.1685	0.368	2	120.1685	0.136	2	120.2607	0.093	3	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[3]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[3]C[6])(C[6]C[6]H)	C[6](C[3]C[3]2H)(C[6]C[6]H)(C[6]C[6])	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){1|C<4>,2|C<3>,3|H<1>}	C[6](C[3]C[3]2H)(C[6]C[6]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[5]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)	C[6](C[5]C[5,5]C[6a]O[5])(C[6]C[6]H)(C[6]C[6])	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){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5]C[5,5]C[6a]O[5])(C[6]C[6]H)(C[6]C[6]){1|N<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	120.3580	0.000	1	120.3580	0.000	1	120.2340	0.012	3	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[5]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)(C[6]C[6])	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){1|Br<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)(C[6]C[6]){1|N<3>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	120.1540	0.000	1	120.1540	0.000	1	120.2340	0.012	3	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[5]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6])	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){1|C<3>,2|O<2>,3|H<1>}	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	120.1900	0.000	1	120.1900	0.000	1	120.2340	0.012	3	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(C[6]C[6]){4|H<1>,5|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	121.1730	0.000	1	121.1730	0.000	1	121.1730	0.000	1	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	Ge-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]Ge)(C[6]C[6]H)	C[6](GeC[6a]2Rh)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Ge)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](GeC[6a]2Rh)(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])(H){1|Ge<4>,1|C<3>,1|H<1>}	120.5690	0.000	1	120.5690	0.000	1	120.5690	0.000	1	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	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])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	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])(H){1|C<3>,1|H<1>,1|P<4>}	119.5020	0.000	1	119.5020	0.000	1	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6a]2Ir)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](PC[6a]2Ir)(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])(H){1|C<3>,1|H<1>,1|P<4>}	119.3080	0.000	1	119.3080	0.000	1	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6a]2Pd)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](PC[6a]2Pd)(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])(H){1|C<3>,1|H<1>,1|P<4>}	118.9860	0.000	1	118.9860	0.000	1	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6a]2Ru)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](PC[6a]2Ru)(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])(H){1|C<3>,1|H<1>,1|P<4>}	118.4970	0.000	1	118.4970	0.000	1	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6a]AuC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<2>,2|H<1>}	C[6](PC[6a]AuC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>}	120.9470	0.000	1	120.9470	0.000	1	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6a]C[5]Ag)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](PC[6a]C[5]Ag)(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])(H){1|C<3>,1|H<1>,1|P<4>}	119.2780	1.371	4	119.2780	1.881	4	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6a]C[6]Ni)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](PC[6a]C[6]Ni)(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])(H){1|C<3>,1|H<1>,1|P<4>}	121.5140	0.000	1	121.5140	0.000	1	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6a]C[6]Pd)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](PC[6a]C[6]Pd)(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])(H){1|C<3>,1|H<1>,1|P<4>}	120.0480	0.000	1	120.0480	0.000	1	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6a]CoC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](PC[6a]CoC)(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])(H){1|C<3>,1|H<1>,1|P<4>}	120.5740	0.000	1	120.5740	0.000	1	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6a]NiC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](PC[6a]NiC)(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])(H){1|C<3>,1|H<1>,1|P<4>}	121.1720	0.000	1	121.1720	0.000	1	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6a]OsC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](PC[6a]OsC)(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])(H){1|C<3>,1|H<1>,1|P<4>}	121.0440	0.000	1	121.0440	0.000	1	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6a]PdO)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](PC[6a]PdO)(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])(H){1|C<3>,1|H<1>,1|P<4>}	119.6770	0.000	1	119.6770	0.000	1	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6a]PtC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](PC[6a]PtC)(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])(H){1|C<3>,1|H<1>,1|P<4>}	120.7050	0.000	1	120.7050	0.000	1	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6a]ReO)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](PC[6a]ReO)(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])(H){1|C<3>,1|H<1>,1|P<4>}	120.9940	0.000	1	120.9940	0.000	1	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	C[6](PC[6a]RuC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	C[6](PC[6a]RuC)(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])(H){1|C<3>,1|H<1>,1|P<4>}	120.4330	0.000	1	120.4330	0.000	1	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)	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])(H)	C[6](C[6]C[6]H)(C[6]C[6]P){1|C<3>,2|H<1>}	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])(H){1|C<3>,1|H<1>,1|P<4>}	120.9900	0.000	1	120.9900	0.000	1	120.0791	1.131	19	120.2306	0.898	28	120.2286	5.065	643	120.2106	5.583	668
206	762	762	6:SP1_SP2_SP2	C[6]	C[6]	C[6]	3:3:	4:3:2:	3:2:2:	C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]){1|C<4>,3|O<2>,4|C<3>}	C[6](C[6]C[6]O)(C[6]C[6])(OC){1|C<3>,1|C<4>,1|O<2>}	120.3550	0.000	1	120.3550	0.000	1	120.3550	0.000	1	120.3550	0.000	1	120.2286	5.065	643	120.2106	5.583	668
206	762	813	6:SP1_SP2_SP2	C[6]	C[6]	N[5a,6]	3:3:	2:3:1:	3:2:2:	N[5a,6]-3:C[6]-3:	C[6]-2:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:C[6]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)	C[6](C[6]N[5a,6])(C[6]N[6]C)(H)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H){1|C<3>,1|C<4>,2|N<2>}	C[6](C[6]N[5a,6])(C[6]N[6]C)(H){1|C<3>,1|N<2>}	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]){1|C<3>,2|H<1>}	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:2:1:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-2:Br-1:	C[5,6]-3:C[5]-3:C[6]-2:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]Br)	C[6](C[6]C[5,6])(C[6]C[6])(Br)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]O)(C[6]C[6])	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>}	C[6](C[6]C[5,6])(C[6]C[6])(Br){2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]O)(C[6]C[6]){1|Br<1>,1|C<2>,1|C<3>,1|O<2>}	116.2660	0.000	1	116.2660	0.000	1	116.2660	0.000	1	115.9647	3.145	3	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:2:1:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-2:F-1:	C[5,6]-3:N[5]-3:C[6]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]F)	C[6](C[6]C[5,6])(C[6]C[6])(F)	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Ir)(C[6]C[6])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]F){1|Ir<6>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6])(C[6]C[6])(F){1|C<3>,1|F<1>,1|N<3>}	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Ir)(C[6]C[6]){1|C<2>,1|C<3>,2|F<1>}	114.0600	0.000	1	114.0600	0.000	1	114.0600	0.000	1	115.9647	3.145	3	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:2:1:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-2:H-1:	C[5,6]-3:C[5]-3:C[6]-2:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]N[6])(H)	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]N)(C[6]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H){2|C<3>,2|N<2>}	C[6](C[6]C[5,6])(C[6]N[6])(H){2|C<3>}	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]N)(C[6]C[6]){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	117.5680	0.000	1	117.5680	0.000	1	117.5680	0.000	1	115.9647	3.145	3	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:2:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[6]-2:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6])(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6])(S[5]C[5]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	116.1810	0.000	1	116.1810	0.000	1	116.1810	0.000	1	116.1810	0.000	1	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C[6])(C[6]C[6])	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C[6])(C[6]C[6]){1|C<2>,2|C<3>,6|H<1>}	119.1770	0.000	1	119.1770	0.000	1	118.0172	1.100	5	118.2987	1.639	7	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(C[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])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[6]N[5])(N[5]C[5]H)(C[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	116.6400	0.000	1	116.6400	0.000	1	118.0172	1.100	5	118.2987	1.639	7	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]C)(C[6]C[6])	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>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]C)(C[6]C[6]){2|C<3>,2|H<1>}	117.2810	0.000	1	117.2810	0.000	1	118.0172	1.100	5	118.2987	1.639	7	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Pt)(C[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])(C[6]C[6]H)(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]){2|C<3>,2|H<1>}	118.7770	0.000	1	118.7770	0.000	1	118.0172	1.100	5	118.2987	1.639	7	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:N[5]-3:C[6]-2:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Re)(C[6]C[6])	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>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[6]S[5])(N[5]C[5]Re)(C[6]C[6]){1|C<3>,1|S<2>,2|H<1>}	118.2110	0.000	1	118.2110	0.000	1	118.0172	1.100	5	118.2987	1.639	7	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-2:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6])	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>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	117.5800	0.000	1	117.5800	0.000	1	117.5800	0.000	1	118.2987	1.639	7	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:3:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-3:H-1:	N[5,5]-3:C[5,6]-3:C[6]-2:	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]C[6]C)(H)	C[5,6](N[5,5]C[5,6a]Nb[5,5])(C[5,6]C[6]P[5])(C[6]C[6])	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>}	C[6](C[6]C[5,6])(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,5]C[5,6a]Nb[5,5])(C[5,6]C[6]P[5])(C[6]C[6]){4|Cl<1>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	120.4250	0.000	1	120.4250	0.000	1	120.4250	0.000	1	118.2987	1.639	7	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:4:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:B[5]-4:C[6]-2:	C[6](C[5,6]C[5,6]B[5])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]N[6]C)(C[6]C[6])	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>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]N[6]C)(C[6]C[6]){2|H<1>,5|C<3>}	120.2780	0.000	1	120.2780	0.000	1	120.2780	0.000	1	119.3290	3.775	3	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:4:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:C[5]-4:C[6]-2:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]){1|C<3>,1|P<3>,3|H<1>}	120.6150	0.000	1	120.6150	0.000	1	120.6150	0.000	1	119.3290	3.775	3	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:3:1:	3:4:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-3:H-1:	C[5,6]-3:S[5]-4:C[6]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6])(S[5]N[5]OO)(C[6]C[6])	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>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[5,6](C[5,6]C[5]C[6])(S[5]N[5]OO)(C[6]C[6]){1|C<3>,1|O<2>,2|H<1>}	117.0940	0.000	1	117.0940	0.000	1	117.0940	0.000	1	119.3290	3.775	3	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:3:1:	4:3:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-3:H-1:	C[5,5]-4:C[5,6]-3:C[6]-2:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6]C[3,5]C[6])(C[6]C[6])	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>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6]C[3,5]C[6])(C[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	120.3950	0.000	1	120.3950	0.000	1	120.3950	0.000	1	116.7503	9.995	3	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:3:1:	4:3:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-3:H-1:	Se[5,5]-4:C[5,6]-3:C[6]-2:	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[5,6](Se[5,5]C[5,6a]N[5]2)(C[5,6]C[5]C[6])(C[6]C[6])	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>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|Se<4>,1|C<3>,1|H<1>}	C[5,6](Se[5,5]C[5,6a]N[5]2)(C[5,6]C[5]C[6])(C[6]C[6]){1|O<3>,3|H<1>,6|C<3>}	115.1090	0.000	1	115.1090	0.000	1	115.1090	0.000	1	116.7503	9.995	3	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:3:1:	4:3:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-3:I-1:	C[5,6]-4:C[5,6]-3:C[6]-2:	C[6](C[5,6]C[5,6]2)(C[6]C[6]I)	C[6](C[6]C[5,6])(C[6]C[6]H)(I)	C[5,6](C[5,6]C[5a,6]C[5]C[6])(C[5,6]C[6]N[5])(C[6]C[6])	C[6](C[5,6]C[5,6]2)(C[6]C[6]I){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6])(C[6]C[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]C[6])(C[5,6]C[6]N[5])(C[6]C[6]){1|C<2>,1|I<1>,1|O<1>,2|H<1>,4|C<3>}	114.7470	0.000	1	114.7470	0.000	1	114.7470	0.000	1	116.7503	9.995	3	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	2:3:2:	3:2:2:	C[5,6]-3:C[6]-3:	C[6]-2:C[6]-3:O-2:	C[5,6]-3:C[6]-2:S[5]-2:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]O)	C[6](C[6]C[5,6])(C[6]C[6]O)(OH)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6])(S[5]C[5])	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6])(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|S<2>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6])(S[5]C[5]){1|H<1>,1|O<2>,2|C<3>}	118.8920	0.000	1	118.8920	0.000	1	118.8920	0.000	1	118.8920	0.000	1	117.9415	4.647	19	117.9415	4.647	19
206	762	818	6:SP1_SP2_SP2	C[6]	C[6]	C[5,6]	3:3:	4:2:1:	4:4:2:	C[5,6]-3:C[6]-3:	C[6,6]-4:C[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-2:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]O)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6])(O)	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6])	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>}	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[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6]){1|O<1>,3|C<4>,3|H<1>}	121.5930	0.000	1	121.5930	0.000	1	121.5930	0.000	1	121.5930	0.000	1	117.9415	4.647	19	117.9415	4.647	19
206	762	856	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:3:	3:2:1:	2:2:1:	C[6]-3:N[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	N[6](C[6]C[6])2(H)	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<2>,1|H<1>}	N[6](C[6]C[6])2(H){1|C<3>,1|H<1>}	120.0600	0.000	1	120.0600	0.000	1	120.0600	0.000	1	120.0600	0.000	1	119.5473	3.288	10	119.5473	3.288	10
206	762	856	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:N[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]C)(C[6]N[6])(H)	N[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.5370	0.000	1	118.6690	1.507	2	119.1585	1.505	4	119.6430	1.488	6	119.5473	3.288	10	119.5473	3.288	10
206	762	856	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:N[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]C)(C[6]N[6])(H)	N[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	117.8010	0.000	1	118.6690	1.507	2	119.1585	1.505	4	119.6430	1.488	6	119.5473	3.288	10	119.5473	3.288	10
206	762	856	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:N[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(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])(H)	C[6](C[6]C[6]H)(N[6]C[6]H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	118.6360	0.000	1	118.6360	0.000	1	119.1585	1.505	4	119.6430	1.488	6	119.5473	3.288	10	119.5473	3.288	10
206	762	856	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:N[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[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|C<3>,1|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>}	120.6600	0.000	1	120.6600	0.000	1	119.1585	1.505	4	119.6430	1.488	6	119.5473	3.288	10	119.5473	3.288	10
206	762	856	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:3:	3:2:1:	3:2:1:	C[6]-3:N[6]-3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]N[6]H)(N[6]C[6]H)	C[6](N[6]C[6]Cu)(C[6]N[6])(H)	N[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]N[6]H)(N[6]C[6]H){1|Cu<4>,2|C<3>}	C[6](N[6]C[6]Cu)(C[6]N[6])(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	120.8470	0.000	1	120.8470	0.000	1	120.8470	0.000	1	119.6430	1.488	6	119.5473	3.288	10	119.5473	3.288	10
206	762	856	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6,6a]-3:C[6]-2:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6])(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	120.3770	0.000	1	120.3770	0.000	1	120.3770	0.000	1	119.6430	1.488	6	119.5473	3.288	10	119.5473	3.288	10
206	762	856	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:3:	3:2:1:	3:2:4:	C[6]-3:N[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(C[6]N[6])(H)	N[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C){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)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	120.7630	0.000	1	120.7630	0.000	1	120.7630	0.000	1	120.7630	0.000	1	119.5473	3.288	10	119.5473	3.288	10
206	762	856	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:3:	3:2:2:	3:2:4:	C[6]-3:N[6]-3:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]O)(N[6]C[6]C)	C[6](C[6]N[6]C)(C[6]N[6])(OH)	N[6](C[6]N[6]C)(C[6]C[6])(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]N[6]C)(C[6]N[6])(OH){1|C<3>,1|C<4>}	N[6](C[6]N[6]C)(C[6]C[6])(CH3){1|C<3>,1|O<2>}	115.4210	0.000	1	115.4210	0.000	1	115.4210	0.000	1	115.4210	0.000	1	119.5473	3.288	10	119.5473	3.288	10
206	762	856	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:3:	3:2:4:	4:3:2:	N[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[5]-4:C[6]-3:C[6]-2:	C[6](N[6]C[5]C[6])(C[6]C[6]C)	C[6](C[6]N[6]N)(C[6]N[6])(CHHO)	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6])	C[6](N[6]C[5]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]N)(C[6]N[6])(CHHO){1|C<3>,1|C<4>}	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	121.3710	0.000	1	121.3710	0.000	1	121.3710	0.000	1	121.3710	0.000	1	119.5473	3.288	10	119.5473	3.288	10
206	762	874	6:SP1_SP2_SP3	C[6]	C[6]	B[6]	4:3:	4:3:2:	3:3:2:2:	B[6]-4:C[6]-3:	C[6]-4:C[5]-3:C[6]-2:	C[6a]-3:C[6a]-3:C[6]-2:O[6]-2:	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6])	C[6](C[6]C[6]HH)(C[5]N[5]2)(C[6]B[6])	B[6](C[6a]C[6a]2)2(C[6]C[6])(O[6]C[6])	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[6](C[6]C[6]HH)(C[5]N[5]2)(C[6]B[6]){1|O<2>,4|C<3>,4|C<4>}	B[6](C[6a]C[6a]2)2(C[6]C[6])(O[6]C[6]){3|C<4>,4|F<1>,5|C<3>}	111.1650	1.433	2	111.1650	2.052	2	111.1650	2.052	2	111.1650	2.052	2	111.1650	2.052	2	111.1650	2.052	2
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	2:3:	2:2:1:	3:2:	N[6]-2:C[6]-3:	C[6]-2:C[6]-2:H-1:	C[5,6]-3:C[6]-2:	C[6](N[6]C[5,6])(C[6]C[6]H)	C[6](C[6]C[5,6])(C[6]N[6])(H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6])	C[6](N[6]C[5,6])(C[6]C[6]H){2|C<3>}	C[6](C[6]C[5,6])(C[6]N[6])(H){2|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	122.8670	0.000	1	122.8670	0.000	1	122.8670	0.000	1	122.8670	0.000	1	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	2:3:	3:2:1:	3:2:	N[6]-2:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6,6a]-3:C[6]-2:	C[6](N[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])	C[6](N[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6])(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]){2|H<1>,3|C<3>}	120.9760	0.000	1	120.9760	0.000	1	120.9760	0.000	1	120.9760	0.000	1	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	2:2:1:	2:2:	C[6]-3:N[6]-2:	C[6]-2:C[6]-2:I-1:	C[6]-2:C[6]-2:	C[6](C[6]C[6]I)(N[6]C[6])	C[6](C[6]C[6])(C[6]N[6])(I)	N[6](C[6]C[6])2	C[6](C[6]C[6]I)(N[6]C[6]){1|C<2>}	C[6](C[6]C[6])(C[6]N[6])(I){1|C<2>}	N[6](C[6]C[6])2{1|C<2>,1|I<1>}	116.5470	0.000	1	116.5470	0.000	1	116.5470	0.000	1	111.7020	10.904	4	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	2:2:1:	2:2:	C[6]-3:N[6]-2:	C[6]-2:N[6]-2:C-1:	C[6]-2:C[6]-2:	C[6](C[6]N[6]C)(N[6]C[6])	C[6](C[6]N[6])(N[6]C[6])(C)	N[6](C[6]C[6])2	C[6](C[6]N[6]C)(N[6]C[6]){1|C<2>}	C[6](C[6]N[6])(N[6]C[6])(C){1|C<2>}	N[6](C[6]C[6])2{1|C<1>,1|N<2>}	110.0870	0.840	3	110.0870	0.706	3	110.0870	0.706	3	111.7020	10.904	4	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	2:2:1:	3:2:	C[6]-3:N[6]-2:	C[6]-2:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6])(C[6]N[6])(H)	N[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]){1|C<2>,1|H<1>}	C[6](C[6]C[6])(C[6]N[6])(H){1|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|H<1>}	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	3:2:1:	2:2:	C[6]-3:N[6]-2:	C[6]-3:C[6]-2:H-1:	C[6]-2:C[6]-2:	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]N[5a]C[6])(C[6]N[6])(H)	N[6](C[6]C[6])2	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,1|N<3>}	C[6](C[6]N[5a]C[6])(C[6]N[6])(H){1|C<2>,1|H<1>,2|C<3>}	N[6](C[6]C[6])2{1|C<3>,2|H<1>}	124.4260	0.243	2	124.4260	0.059	2	124.4260	0.059	2	124.4260	0.059	2	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	3:2:1:	3:2:	C[6]-3:N[6]-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6](C[6]C[6]H)(N[6]C[6])	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]H)(N[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]2)(C[6]N[6])(H){1|C<2>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	117.4480	0.000	1	120.6530	20.544	2	122.8420	4.959	12	122.8420	4.959	12	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	3:2:1:	3:2:	C[6]-3:N[6]-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6](C[6]C[6]H)(N[6]C[6])	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]H)(N[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6])(H){1|H<1>,3|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	123.8580	0.000	1	120.6530	20.544	2	122.8420	4.959	12	122.8420	4.959	12	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	3:2:1:	3:2:	C[6]-3:N[6]-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]C)(C[6]N[6])(H)	N[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]){1|C<2>,1|C<3>,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)(C[6]C[6]){1|C<3>,2|H<1>}	125.3430	0.000	1	125.3430	0.000	1	122.8420	4.959	12	122.8420	4.959	12	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	3:2:1:	3:2:	C[6]-3:N[6]-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(C[6]N[6])(H)	N[6](C[6]C[5a]C[6])(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	123.1860	0.000	1	123.1860	0.000	1	122.8420	4.959	12	122.8420	4.959	12	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	3:2:1:	3:2:	C[6]-3:N[6]-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(C[6]N[6])(H)	N[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	121.2200	0.000	1	122.2997	0.877	3	122.8420	4.959	12	122.8420	4.959	12	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	3:2:1:	3:2:	C[6]-3:N[6]-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(C[6]N[6])(H)	N[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	122.8395	0.078	2	122.2997	0.877	3	122.8420	4.959	12	122.8420	4.959	12	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	3:2:1:	3:2:	C[6]-3:N[6]-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(C[6]N[6])(H)	N[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	125.3000	0.000	1	124.6560	0.829	2	122.8420	4.959	12	122.8420	4.959	12	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	3:2:1:	3:2:	C[6]-3:N[6]-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(C[6]N[6])(H)	N[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	124.0120	0.000	1	124.6560	0.829	2	122.8420	4.959	12	122.8420	4.959	12	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	3:2:1:	3:2:	C[6]-3:N[6]-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(C[6]N[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	123.8340	0.146	2	123.8340	0.021	2	122.8420	4.959	12	122.8420	4.959	12	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	3:2:1:	3:2:	C[6]-3:N[6]-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]S)(C[6]N[6])(H)	N[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]N[6])(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	120.3900	0.000	1	120.3900	0.000	1	122.8420	4.959	12	122.8420	4.959	12	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	3:2:2:	3:2:	C[6]-3:N[6]-2:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:	C[6](C[6]C[6]O)(N[6]C[6])	C[6](C[6]C[6]H)(C[6]N[6])(OC)	N[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]O)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(OC){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|H<1>,1|O<2>}	125.2810	0.000	1	125.2810	0.000	1	125.2810	0.000	1	122.7735	12.575	2	120.9468	23.738	23	120.9468	23.738	23
206	762	914	6:SP1_SP2_SP2	C[6]	C[6]	N[6]	3:2:	3:2:2:	3:2:	C[6]-3:N[6]-2:	N[5a]-3:C[6]-2:N[6]-2:	C[6]-3:C[6]-2:	C[6](C[6]N[5a]N[6])(N[6]C[6])	C[6](N[5a]C[5a,6a]2)(C[6]N[6])(N[6]C[6])	N[6](C[6]N[5a]C[6])(C[6]C[6])	C[6](C[6]N[5a]N[6])(N[6]C[6]){1|C<2>,1|N<3>,2|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]N[6])(N[6]C[6]){5|C<3>}	N[6](C[6]N[5a]C[6])(C[6]C[6]){1|N<2>,1|N<3>,2|C<3>}	120.2660	0.000	1	120.2660	0.000	1	120.2660	0.000	1	122.7735	12.575	2	120.9468	23.738	23	120.9468	23.738	23