856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:2:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-2:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6])(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	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>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	122.2500	0.000	1	122.2500	0.000	1	122.2500	0.000	1	122.2500	0.000	1	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[6,6a]-3:S-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]S)(C[6a]C[6a]H)	S(N[6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(O)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	S(N[6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(O)2	117.7620	0.000	1	117.7620	0.000	1	117.7620	0.000	1	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[5,6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5,6]N[5])(SC[6a]OO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]S)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5,6]N[5])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	123.2970	0.000	1	123.2970	0.000	1	123.2970	0.000	1	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	121.2500	0.000	1	121.2480	3.036	8	120.7812	3.724	27	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	120.7810	1.556	6	121.2480	3.036	8	120.7812	3.724	27	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	124.0480	0.000	1	121.2480	3.036	8	120.7812	3.724	27	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	118.2964	1.575	5	118.2964	2.479	5	120.7812	3.724	27	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	121.3833	0.443	3	121.3833	0.196	3	120.7812	3.724	27	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	123.0330	0.000	1	121.6340	0.758	7	120.7812	3.724	27	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	121.5905	0.021	2	121.6340	0.758	7	120.7812	3.724	27	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	121.9740	0.000	1	121.6340	0.758	7	120.7812	3.724	27	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	120.7630	0.000	1	121.6340	0.758	7	120.7812	3.724	27	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	122.0820	0.000	1	121.6340	0.758	7	120.7812	3.724	27	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	120.4050	0.000	1	121.6340	0.758	7	120.7812	3.724	27	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.6110	0.000	1	119.6110	0.000	1	120.7812	3.724	27	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(SC[6a]OO){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<2>,2|H<1>,3|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	117.9080	0.000	1	117.9080	0.000	1	120.7812	3.724	27	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	123.2600	0.000	2	123.2600	0.000	2	120.7812	3.724	27	120.7639	4.009	29	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:2:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(SC[6a]OO){4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]S){1|O<2>,2|H<1>,4|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	123.1890	0.000	1	123.1890	0.000	1	121.9880	2.885	2	121.9880	2.885	2	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:2:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	120.7870	0.000	1	120.7870	0.000	1	121.9880	2.885	2	121.9880	2.885	2	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[3,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[3,6]S)	S(N[6]C[6,6a]C[3,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[3,6]S){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	S(N[6]C[6,6a]C[3,6])(C[6a]C[6a]2)(O)2	121.4650	0.000	1	121.4650	0.000	1	121.4650	0.000	1	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,2|C<4>,5|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	119.4170	0.000	1	119.4170	0.000	1	118.4042	4.741	6	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	117.4750	0.000	1	117.4750	0.000	1	118.4042	4.741	6	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,2|C<4>,3|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	115.0250	0.000	1	115.0250	0.000	1	118.4042	4.741	6	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	119.2640	0.000	1	120.3575	2.391	2	118.4042	4.741	6	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	121.4510	0.000	1	120.3575	2.391	2	118.4042	4.741	6	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	117.7930	0.000	1	117.7930	0.000	1	118.4042	4.741	6	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	124.9580	0.652	2	121.1124	34.792	5	121.1124	34.792	5	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	126.1710	0.000	1	121.1124	34.792	5	121.1124	34.792	5	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	113.6660	0.000	1	121.1124	34.792	5	121.1124	34.792	5	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,2|H<1>,3|C<4>}	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	115.8090	0.000	1	121.1124	34.792	5	121.1124	34.792	5	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|Si<3>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	S(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)2	121.7440	0.000	1	121.7440	0.000	1	121.7878	0.756	5	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	S(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)2	122.2310	0.000	1	121.7987	1.007	4	121.7878	0.756	5	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,6|H<1>}	S(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)2	122.3335	0.083	2	121.7987	1.007	4	121.7878	0.756	5	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	S(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)2	120.2970	0.000	1	121.7987	1.007	4	121.7878	0.756	5	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	122.8920	0.000	1	123.4860	0.271	3	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	123.7830	0.110	2	123.4860	0.271	3	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	121.7380	0.000	1	121.7380	0.000	1	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	122.5090	0.000	1	121.0836	14.209	8	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	115.4820	0.000	1	121.0836	14.209	8	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	121.0840	0.000	1	121.0836	14.209	8	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	120.7097	4.989	3	121.0836	14.209	8	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	124.6850	0.000	1	121.0836	14.209	8	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	122.7800	0.000	1	121.0836	14.209	8	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	118.2640	0.000	1	121.0635	15.674	2	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	123.8630	0.000	1	121.0635	15.674	2	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	118.2070	0.000	1	119.7770	4.930	2	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	121.3470	0.000	1	119.7770	4.930	2	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.6180	0.000	1	116.6180	0.000	1	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	120.6995	0.407	2	122.0320	3.074	4	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	124.3530	0.000	1	122.0320	3.074	4	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	122.3760	0.000	1	122.0320	3.074	4	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.4030	0.649	2	119.4030	0.421	2	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	120.6390	0.000	1	120.1660	0.447	2	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.6930	0.000	1	120.1660	0.447	2	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.4120	0.000	1	118.4594	7.500	5	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	122.5600	0.000	1	118.4594	7.500	5	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	117.9820	0.000	1	118.4594	7.500	5	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	117.0610	0.000	1	118.4594	7.500	5	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	115.2820	0.000	1	118.4594	7.500	5	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	122.6480	0.000	1	122.9910	0.235	2	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	123.3340	0.000	1	122.9910	0.235	2	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.8150	0.000	1	119.8150	0.000	1	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	124.6770	0.000	1	124.6770	0.000	1	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.9050	0.000	1	119.1965	7.634	10	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	120.9650	0.000	1	119.1965	7.634	10	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	123.0490	0.000	1	119.1965	7.634	10	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	123.8960	0.000	1	119.1965	7.634	10	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	117.7670	0.000	1	119.1965	7.634	10	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.0760	0.000	1	119.1965	7.634	10	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.7485	0.291	2	119.1965	7.634	10	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.9050	0.653	2	119.1965	7.634	10	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|S<4>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	117.4797	0.478	3	117.4797	0.229	3	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.7750	0.000	1	120.6330	1.472	2	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	121.4910	0.000	1	120.6330	1.472	2	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.2360	0.000	1	119.3830	5.537	4	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|F<1>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	121.7900	0.000	1	119.3830	5.537	4	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.1880	0.000	1	119.3830	5.537	4	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	120.3180	0.000	1	119.3830	5.537	4	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	118.6500	0.000	1	118.6500	0.000	1	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	123.3730	0.000	1	123.3730	0.000	1	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	114.9700	0.000	1	114.9700	0.000	1	120.1678	8.083	56	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(SC[6a]OO){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]S[6])(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.6820	0.000	1	116.6820	0.000	1	116.6820	0.000	1	120.1685	9.048	74	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(SCOO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(CH3)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(SCOO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	S(N[6]C[6,6a]C[6])(CH3)(O)2	118.2250	0.000	1	118.2250	0.000	1	118.2250	0.000	1	118.2250	0.000	1	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H)	S(N[6]C[5,6,6]C[6,6a])(C[6a]C[6a]2)(O)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	S(N[6]C[5,6,6]C[6,6a])(C[6a]C[6a]2)(O)2	117.4500	0.000	1	118.1740	1.048	2	118.1740	1.048	2	120.5070	8.714	4	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H)	S(N[6]C[5,6,6]C[6,6a])(C[6a]C[6a]2)(O)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	S(N[6]C[5,6,6]C[6,6a])(C[6a]C[6a]2)(O)2	118.8980	0.000	1	118.1740	1.048	2	118.1740	1.048	2	120.5070	8.714	4	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP2_SP2_SP3	N[6]	C[6,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[6,6]-4:C[6,6a]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]S)	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]S){2|C<3>,2|C<4>,4|H<1>}	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	122.8400	1.823	2	122.8400	3.323	2	122.8400	3.323	2	120.5070	8.714	4	120.3703	7.480	111	120.3703	7.480	111
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	121.5940	0.000	1	121.5940	0.000	1	119.3298	2.548	5	119.3298	2.548	5	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.2980	0.000	1	118.5147	1.519	3	119.3298	2.548	5	119.3298	2.548	5	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	118.1230	1.455	2	118.5147	1.519	3	119.3298	2.548	5	119.3298	2.548	5	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.5110	0.000	1	119.5110	0.000	1	119.3298	2.548	5	119.3298	2.548	5	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){2|C<3>,2|C<4>,4|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	119.4050	0.000	1	119.5127	1.787	3	119.0258	1.565	5	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<4>,2|C<3>,5|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	118.2330	0.000	1	119.5127	1.787	3	119.0258	1.565	5	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){2|C<3>,2|C<4>,4|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	120.9000	0.000	1	119.5127	1.787	3	119.0258	1.565	5	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,2|C<4>,3|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	118.9690	0.000	1	118.9690	0.000	1	119.0258	1.565	5	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	117.6220	0.000	1	117.6220	0.000	1	119.0258	1.565	5	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	116.4420	0.000	1	116.4420	0.000	1	115.4087	0.807	4	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6,6]S)	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6,6]S){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	115.8800	0.000	1	115.8800	0.000	1	115.4087	0.807	4	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	114.6670	0.000	1	114.6670	0.000	1	115.4087	0.807	4	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,2|C<4>,3|H<1>}	S(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)2	114.6460	0.000	1	114.6460	0.000	1	115.4087	0.807	4	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[5,6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	122.3990	0.000	1	122.3990	0.000	1	122.3990	0.000	1	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	121.7715	0.629	2	121.7715	0.395	2	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.4410	0.000	1	116.4410	0.000	1	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	117.3720	0.000	1	118.1550	1.226	2	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	118.9380	0.000	1	118.1550	1.226	2	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.2460	0.000	1	119.2460	0.000	1	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.4380	0.000	1	116.4380	0.000	1	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.4110	0.000	1	119.4110	0.000	1	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	121.5450	0.000	1	121.5450	0.000	1	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]H)(SC[6a]OO)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]H)(SC[6a]OO){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|Br<1>,2|H<1>,4|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.6620	0.000	1	119.6620	0.000	1	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	118.4510	0.000	1	121.0545	4.472	6	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	118.5720	0.000	1	121.0545	4.472	6	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	121.8870	0.000	1	121.0545	4.472	6	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	122.7160	0.000	1	121.0545	4.472	6	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	122.3505	1.614	2	121.0545	4.472	6	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	118.9310	0.000	1	118.9310	0.000	1	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|O<2>,3|C<3>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	114.9310	0.000	1	117.9695	9.675	4	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	115.6700	0.000	1	117.9695	9.675	4	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	120.6385	0.507	2	117.9695	9.675	4	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	115.7150	1.020	2	115.7150	1.040	2	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.5827	0.197	3	118.0753	8.488	6	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,3|C<4>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	117.4335	1.288	2	118.0753	8.488	6	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	123.8370	0.000	1	118.0753	8.488	6	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	117.1720	0.000	1	117.1720	0.000	1	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]S){3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.7750	0.000	1	116.7750	0.000	1	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.5510	0.000	1	119.3431	9.065	9	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.4750	0.000	1	119.3431	9.065	9	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,6|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	118.2755	0.870	2	119.3431	9.065	9	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<2>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	122.7250	0.000	1	119.3431	9.065	9	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	124.6740	0.000	1	119.3431	9.065	9	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	121.1890	0.000	1	119.3431	9.065	9	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	117.4090	0.000	1	119.3431	9.065	9	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	115.5140	0.000	1	119.3431	9.065	9	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,5|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.2470	0.000	1	118.8298	0.541	4	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|S<4>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	118.4625	1.039	2	118.8298	0.541	4	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.1470	0.000	1	118.8298	0.541	4	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	120.0470	0.000	1	119.7855	0.137	2	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	119.5240	0.000	1	119.7855	0.137	2	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|H<1>,1|O<2>,5|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	112.0250	0.000	1	113.4250	3.920	2	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|S<2>,2|H<1>,4|C<3>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	114.8250	0.000	1	113.4250	3.920	2	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	120.0460	0.000	1	118.0410	8.040	2	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	116.0360	0.000	1	118.0410	8.040	2	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	115.2330	0.000	1	115.2330	0.000	1	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CN)(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CN)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	S(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)2	118.6070	0.000	1	118.6070	0.000	1	118.6406	7.027	52	118.5238	6.932	62	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SCOO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(CC3)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SCOO){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,3|H<1>}	S(N[6]C[6,6a]C[6])(CC3)(O)2	122.5450	0.000	1	122.5450	0.000	1	120.9640	2.398	4	120.9640	2.398	4	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(CH3)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	S(N[6]C[6,6a]C[6])(CH3)(O)2	119.5130	0.000	1	119.5130	0.000	1	120.9640	2.398	4	120.9640	2.398	4	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(CC[6a]HH)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,6|H<1>}	S(N[6]C[6,6a]C[6])(CC[6a]HH)(O)2	122.0350	0.000	1	122.0350	0.000	1	120.9640	2.398	4	120.9640	2.398	4	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	S(N[6]C[6,6a]C[6])(CH3)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,6|H<1>}	S(N[6]C[6,6a]C[6])(CH3)(O)2	119.7630	0.000	1	119.7630	0.000	1	120.9640	2.398	4	120.9640	2.398	4	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H)	S(N[6]C[5,6,6]C[6,6a])(C[6a]C[6a]2)(O)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	S(N[6]C[5,6,6]C[6,6a])(C[6a]C[6a]2)(O)2	120.2300	0.000	1	120.2300	0.000	1	120.2300	0.000	1	119.4800	1.125	2	118.7389	6.485	73	118.7389	6.485	73
856	643	952	0:SP3_SP2_SP3	N[6]	C[6,6a]	S	4:3:4:	3:3:3:	3:3:1:1:	C[5,6]-4:C[6,6a]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){2|C<3>,2|C<4>,4|H<1>}	S(N[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)2	118.7300	0.000	1	118.7300	0.000	1	118.7300	0.000	1	119.4800	1.125	2	118.7389	6.485	73	118.7389	6.485	73
856	643	956	0:SP2_SP2_SP2	N[6]	C[6,6a]	N	3:4:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6]-4:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(NCC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]N)	N(N[6]C[6,6a]C[6])(CC[6a]CH)(CCO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(NCC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]N){1|C<4>,3|C<3>,3|H<1>}	N(N[6]C[6,6a]C[6])(CC[6a]CH)(CCO)	121.6080	0.000	1	121.6080	0.000	1	121.6080	0.000	1	121.6080	0.000	1	121.6080	0.000	1	121.6080	0.000	1
856	643	956	0:SP2_SP2_SP3	N[6]	C[6,6a]	N	3:4:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[5,6]-4:N-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]N)	N(N[6]C[6,6a]C[5,6])(CH3)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]N){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	N(N[6]C[6,6a]C[5,6])(CH3)2	116.8470	0.000	1	116.8470	0.000	1	116.8470	0.000	1	116.8470	0.000	1	116.8470	0.000	1	116.8470	0.000	1
856	643	961	0:SP2_SP2_SP3	N[6]	C[6a]	S[6]	3:4:3:	3:3:3:	3:2:1:1:	C[6a]-3:S[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-2:O-1:O-1:	N[6](C[6a]C[6a]2)(S[6]N[6]OO)(C[6]N[6]C)	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2	N[6](C[6a]C[6a]2)(S[6]N[6]OO)(C[6]N[6]C){2|H<1>,3|C<3>}	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,2|N<2>,2|O<1>}	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2{1|N<2>,1|N<3>,3|C<3>}	117.3300	0.000	1	117.3300	0.000	1	117.3300	0.000	1	117.3300	0.000	1	118.2510	3.000	6	118.2510	3.000	6
856	643	961	0:SP2_SP2_SP3	N[6]	C[6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S[6]-4:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C)	C[6a](C[6,6a]C[6,6a]N[6])(N[6]C[6]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	N[6](C[6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]N[6])(N[6]C[6]S[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	119.8565	1.727	2	119.8565	2.984	2	119.8565	2.984	2	118.4352	3.496	5	118.2510	3.000	6	118.2510	3.000	6
856	643	961	0:SP2_SP2_SP3	N[6]	C[6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S[6]-4:C[6]-3:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6a]C[6a,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6]C[6]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	N[6](C[6a]C[6a,6a]C[6a])(S[6]C[6,6a]OO)(C[6]C[6]C){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6]C[6]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	118.3260	0.223	2	118.3260	0.050	2	118.3260	0.050	2	118.4352	3.496	5	118.2510	3.000	6	118.2510	3.000	6
856	643	961	0:SP2_SP2_SP3	N[6]	C[6a]	S[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6a]C[6a]2)(S[6]C[6]OO)(C[6]C[6]C)	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2	S[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)2	N[6](C[6a]C[6a]2)(S[6]C[6]OO)(C[6]C[6]C){3|C<3>,4|H<1>}	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<1>,3|C<3>}	S[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)2{2|C<4>,3|C<3>}	115.8110	0.000	1	115.8110	0.000	1	115.8110	0.000	1	118.4352	3.496	5	118.2510	3.000	6	118.2510	3.000	6
856	643	961	0:SP3_SP2_SP3	N[6]	C[6a]	S[6]	3:4:4:	3:3:3:	3:2:1:1:	C[6a]-3:C[6]-4:S[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-2:O-1:O-1:	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(S[6]N[6]OO)	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(S[6]N[6]OO){3|C<3>,3|H<1>}	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{2|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<1>}	S[6](N[6]C[6a]C[6])(N[6]C[6])(O)2{1|C<4>,2|N<3>,3|C<3>}	115.6010	0.000	1	115.6010	0.000	1	115.6010	0.000	1	115.6010	0.000	1	118.6125	4.047	4	118.6125	4.047	4
856	643	961	0:SP3_SP2_SP3	N[6]	C[6a]	S[6]	4:3:3:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[3]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[3]C[6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	119.5470	0.000	1	119.5470	0.000	1	119.5260	0.001	2	119.6163	0.025	3	118.6125	4.047	4	118.6125	4.047	4
856	643	961	0:SP3_SP2_SP3	N[6]	C[6a]	S[6]	4:3:3:	3:3:3:	3:3:1:1:	S[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{2|H<1>,2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|H<1>,6|C<3>}	119.5050	0.000	1	119.5050	0.000	1	119.5260	0.001	2	119.6163	0.025	3	118.6125	4.047	4	118.6125	4.047	4
856	643	961	0:SP3_SP2_SP3	N[6]	C[6a]	S[6]	4:3:3:	3:3:3:	3:3:1:1:	S[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2	N[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,4|C<3>}	C[6a](N[6]C[6]S[6])(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)2{1|C<4>,1|H<1>,5|C<3>}	119.7970	0.000	1	119.7970	0.000	1	119.7970	0.000	1	119.6163	0.025	3	118.6125	4.047	4	118.6125	4.047	4
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){2|C<3>,2|O<1>,3|H<1>}	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2{1|H<1>,1|N<2>,3|C<3>}	122.7110	0.000	1	122.0230	0.947	2	122.0230	0.947	2	120.4264	7.022	7	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){2|C<3>,2|O<1>,3|H<1>}	S[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(O)2{1|H<1>,4|C<3>}	121.3350	0.000	1	122.0230	0.947	2	122.0230	0.947	2	120.4264	7.022	7	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2{1|C<4>,2|C<3>}	121.5840	0.000	1	121.5263	3.449	3	121.5263	3.449	3	120.4264	7.022	7	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	123.3540	0.000	1	121.5263	3.449	3	121.5263	3.449	3	120.4264	7.022	7	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	119.6410	0.000	1	121.5263	3.449	3	121.5263	3.449	3	120.4264	7.022	7	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]S[6]H)	S[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]S[6]H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	S[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)2{1|H<1>,3|C<3>}	115.6830	0.000	1	115.6830	0.000	1	117.1800	4.482	2	120.4264	7.022	7	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	S[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|C<3>,1|N<3>,2|H<1>,3|O<1>}	S[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)2{1|O<1>,2|C<3>}	118.6770	0.000	1	118.6770	0.000	1	117.1800	4.482	2	120.4264	7.022	7	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CCHH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|H<1>,4|C<3>}	114.2975	0.482	2	114.2975	0.232	2	116.9053	20.518	3	117.6070	6.155	10	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|O<1>,1|O<2>,3|C<3>}	122.1210	0.000	1	122.1210	0.000	1	116.9053	20.518	3	117.6070	6.155	10	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	116.8980	0.000	1	117.4390	2.089	5	117.9077	2.041	7	117.6070	6.155	10	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){2|C<3>,2|H<1>,3|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|O<1>,2|C<3>}	119.1150	0.000	1	117.4390	2.089	5	117.9077	2.041	7	117.6070	6.155	10	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|C<4>,2|C<3>}	115.7200	0.000	1	117.4390	2.089	5	117.9077	2.041	7	117.6070	6.155	10	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	117.7310	1.459	2	117.4390	2.089	5	117.9077	2.041	7	117.6070	6.155	10	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	119.0795	0.217	2	119.0795	0.047	2	117.9077	2.041	7	117.6070	6.155	10	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]Br2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){2|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]Br2)(O)2{1|O<1>,2|C<3>}	118.1390	0.000	1	118.1390	0.000	1	117.4861	0.717	24	117.4861	0.717	24	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]Cl2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){2|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]Cl2)(O)2{1|O<1>,2|C<3>}	118.6230	0.000	1	118.6230	0.000	1	117.4861	0.717	24	117.4861	0.717	24	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|N<2>,2|C<3>}	117.4915	0.039	2	117.3153	0.042	4	117.4861	0.717	24	117.4861	0.717	24	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|O<1>,2|C<3>}	117.1390	0.027	2	117.3153	0.042	4	117.4861	0.717	24	117.4861	0.717	24	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]Br2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){2|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]Br2)(O)2{1|O<1>,2|C<3>}	118.2620	0.000	1	118.2620	0.000	1	117.4861	0.717	24	117.4861	0.717	24	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]Cl2)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){2|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]Cl2)(O)2{1|O<1>,2|C<3>}	117.9570	0.000	1	117.9570	0.000	1	117.4861	0.717	24	117.4861	0.717	24	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]ClH)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){1|Cl<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]ClH)(O)2{1|N<2>,2|C<3>}	117.8408	0.457	6	117.8408	0.209	6	117.4861	0.717	24	117.4861	0.717	24	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|N<2>,2|C<3>}	117.0251	1.159	8	117.0380	1.101	10	117.4861	0.717	24	117.4861	0.717	24	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|O<1>,2|C<3>}	117.0895	0.706	2	117.0380	1.101	10	117.4861	0.717	24	117.4861	0.717	24	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP2_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	4:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CCHH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C)	S[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CCHH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	S[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	113.0430	0.000	1	113.0430	0.000	1	113.0430	0.000	1	113.0430	0.000	1	117.8992	4.568	42	117.8992	4.568	42
856	643	961	6:SP3_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:1:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](N[6]C[6,6a]H)(C[6]C[6]C)(O)2{1|O<2>,2|C<3>}	119.6290	0.000	1	119.6290	0.000	1	119.6290	0.000	1	119.6290	0.000	1	117.3040	10.268	8	117.3040	10.268	8
856	643	961	6:SP3_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:2:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]N[6a])(S[6]C[6,6a]OO)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(N[6]S[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	N[6](C[6,6a]C[6,6a]N[6a])(S[6]C[6,6a]OO)(CH3){4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a])(N[6]S[6]C){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|H<1>,2|C<3>,2|N<2>}	116.5880	0.000	1	116.5880	0.000	1	116.5880	0.000	1	116.5880	0.000	1	117.3040	10.268	8	117.3040	10.268	8
856	643	961	6:SP3_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](C[6,6]C[5,6]C[6,6])(N[6]C[6,6a]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6]C[5,6]C[6,6])(N[6]C[6,6a]C)(O)2{1|O<2>,5|C<3>}	119.3380	0.000	1	119.3380	0.000	1	119.3380	0.000	1	120.3815	2.178	2	117.3040	10.268	8	117.3040	10.268	8
856	643	961	6:SP3_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a]OO)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]S[6]C){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)2{1|O<1>,1|O<2>,3|C<3>}	121.4250	0.000	1	121.4250	0.000	1	121.4250	0.000	1	120.3815	2.178	2	117.3040	10.268	8	117.3040	10.268	8
856	643	961	6:SP3_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CCHH){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,2|H<1>,3|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|O<1>,2|C<3>}	116.9580	0.000	1	116.9580	0.000	1	116.9050	0.618	3	116.9050	0.618	3	117.3040	10.268	8	117.3040	10.268	8
856	643	961	6:SP3_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C)	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(CH3){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	S[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)2{1|N<2>,2|C<3>}	116.8785	1.109	2	116.8785	1.231	2	116.9050	0.618	3	116.9050	0.618	3	117.3040	10.268	8	117.3040	10.268	8
856	643	961	6:SP3_SP2_SP3	N[6]	C[6,6a]	S[6]	3:4:4:	3:3:3:	4:3:1:1:	C[6,6a]-3:S[6]-4:C-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:O-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CC[6a]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C)	S[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(S[6]C[5,6]OO)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(N[6]S[6]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	S[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	117.3040	10.268	8	117.3040	10.268	8
856	643	965	0:SP2_SP1_SP2	N[6]	C[6a]	Si[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:Si[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6])	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	Si[6](N[6]C[6a]C[6])2	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Si[6](N[6]C[6a]C[6])2{1|C<4>,6|C<3>}	115.7830	0.000	1	115.3335	0.404	2	115.3335	0.404	2	115.3335	0.404	2	115.3335	0.404	2	115.3335	0.404	2
856	643	965	0:SP2_SP1_SP2	N[6]	C[6a]	Si[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:Si[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6])	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	Si[6](N[6]C[6a]C[6])2	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,3|C<3>}	Si[6](N[6]C[6a]C[6])2{1|C<4>,6|C<3>}	114.8840	0.000	1	115.3335	0.404	2	115.3335	0.404	2	115.3335	0.404	2	115.3335	0.404	2	115.3335	0.404	2
856	643	966	0:SP2_SP2_SP2	N[6]	C[6a]	As[6]	3:3:2:	3:3:3:	3:3:	As[6]-3:C[6a]-3:As[6]-2:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:	N[6](As[6]N[6]Cl)(C[6a]C[6a]2)(As[6]N[6])	C[6a](C[6a]C[6a]C)2(N[6]As[6]2)	As[6](N[6]As[6]C[6a])2	N[6](As[6]N[6]Cl)(C[6a]C[6a]2)(As[6]N[6]){1|As<3>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]As[6]2){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	As[6](N[6]As[6]C[6a])2{2|Cl<1>,1|N<3>,4|C<3>}	114.7090	1.063	2	114.7090	1.131	2	114.7090	1.131	2	117.5680	11.648	4	117.5680	11.648	4	117.5680	11.648	4
856	643	966	0:SP2_SP2_SP2	N[6]	C[6a]	As[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:As[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]H)(As[6]N[6])	C[6a](N[6]As[6]C[6])(C[6a]C[6a]C)2	As[6](N[6]C[6a]C[6])2	N[6](C[6a]C[6a]2)(C[6]C[6]H)(As[6]N[6]){2|C<4>,5|C<3>}	C[6a](N[6]As[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,3|H<1>}	As[6](N[6]C[6a]C[6])2{2|H<1>,5|C<3>}	120.4270	1.056	2	120.4270	1.116	2	120.4270	1.116	2	117.5680	11.648	4	117.5680	11.648	4	117.5680	11.648	4
856	643	983	0:SP2_SP1_SP2	N[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CN)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CN){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(N)	117.8515	1.610	2	117.8515	2.592	2	117.8515	2.592	2	117.8515	2.592	2	118.3847	0.784	6	118.3847	0.784	6
856	643	983	0:SP2_SP1_SP2	N[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C-2:	N[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(CC)	N[6](C[6,6a]C[6,6a]C[6a])2(CC){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(N[6]C[6,6a]2)(CC)	119.1660	0.000	1	119.1660	0.000	1	118.6513	0.158	4	118.6513	0.158	4	118.3847	0.784	6	118.3847	0.784	6
856	643	983	0:SP2_SP1_SP2	N[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C-2:	N[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(CH)	N[6](C[6,6a]C[6,6a]C[6a])2(CC){1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]2)(CH)	118.3685	0.213	2	118.4797	0.060	3	118.6513	0.158	4	118.6513	0.158	4	118.3847	0.784	6	118.3847	0.784	6
856	643	983	0:SP2_SP1_SP2	N[6]	C[6,6a]	C	3:3:2:	3:3:3:	3:2:	C[6,6a]-3:C[6,6a]-3:C-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C-2:	N[6](C[6,6a]C[6,6a]C[6a])2(CC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(CH)	N[6](C[6,6a]C[6,6a]C[6a])2(CC){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C(N[6]C[6,6a]2)(CH)	118.7020	0.000	1	118.4797	0.060	3	118.6513	0.158	4	118.6513	0.158	4	118.3847	0.784	6	118.3847	0.784	6
856	643	992	0:SP2_SP2_SP3	N[6]	C[6,6a]	P	3:4:4:	3:3:3:	3:2:2:1:	C[6,6a]-3:C[6]-4:P-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P)	P(N[6]C[6,6a]C[6])(OC)2(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P){1|H<1>,1|O<2>,5|C<3>}	P(N[6]C[6,6a]C[6])(OC)2(O)	116.1600	0.000	1	117.5660	3.954	2	117.5660	3.954	2	117.5660	3.954	2	118.0232	1.660	4	118.0232	1.660	4
856	643	992	0:SP2_SP2_SP3	N[6]	C[6,6a]	P	3:4:4:	3:3:3:	3:2:2:1:	C[6,6a]-3:C[6]-4:P-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P)	P(N[6]C[6,6a]C[6])(OC)2(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P){2|H<1>,5|C<3>}	P(N[6]C[6,6a]C[6])(OC)2(O)	118.9720	0.000	1	117.5660	3.954	2	117.5660	3.954	2	117.5660	3.954	2	118.0232	1.660	4	118.0232	1.660	4
856	643	992	0:SP2_SP2_SP3	N[6]	C[6,6a]	P	3:4:4:	3:3:3:	3:4:4:4:	C[6,6a]-3:Ge[6]-4:P-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:C-4:	N[6](C[6,6a]C[6,6a,6a]C[6a])(Ge[6]N[6]ClS)(PC3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]Ge[6]P)	P(N[6]C[6,6a]Ge[6])(CCHH)3	N[6](C[6,6a]C[6,6a,6a]C[6a])(Ge[6]N[6]ClS)(PC3){1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]Ge[6]P){1|Cl<1>,1|H<1>,1|N<3>,1|S<1>,3|C<3>}	P(N[6]C[6,6a]Ge[6])(CCHH)3	118.4805	0.435	2	118.4805	0.189	2	118.4805	0.189	2	118.4805	0.189	2	118.0232	1.660	4	118.0232	1.660	4
856	658	658	6:SP3_SP3_SP3	N[3x6]	Si[6,6]	Si[6,6]	4:4:4:	3:3:3:4:	3:3:3:4:	Si[6,6]-4:Si[6,6]-4:Si[6,6]-4:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	N[3x6](Si[6,6]N[6]2C)3	Si[6,6](N[3x6]Si[6,6]2)(N[6]Si[6]H)2(CH3)	Si[6,6](N[3x6]Si[6,6]2)(N[6]Si[6]H)2(CH3)	N[3x6](Si[6,6]N[6]2C)3{3|Si<4>,6|H<1>}	Si[6,6](N[3x6]Si[6,6]2)(N[6]Si[6]H)2(CH3){4|C<4>,6|N<3>}	Si[6,6](N[3x6]Si[6,6]2)(N[6]Si[6]H)2(CH3){4|C<4>,6|N<3>}	119.9857	0.036	3	119.9857	0.001	3	119.9857	0.001	3	119.9857	0.001	3	119.9857	0.001	3	124.8113	24.558	7
856	658	658	6:SP3_SP3_SP3	N[6]	Si[6,6]	Si[6]	4:4:1:	3:3:3:4:	3:3:3:4:	Si[6,6]-4:Si[6]-4:H-1:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:N-3:C-4:	N[6](Si[6,6]N[3x6]N[6]C)(Si[6]N[6]CN)(H)	Si[6,6](N[3x6]Si[6,6]2)(N[6]Si[6]H)2(CH3)	Si[6](N[6]Si[6,6]H)2(NSi[6]H)(CH3)	N[6](Si[6,6]N[3x6]N[6]C)(Si[6]N[6]CN)(H){3|Si<4>,2|H<1>}	Si[6,6](N[3x6]Si[6,6]2)(N[6]Si[6]H)2(CH3){4|C<4>,6|N<3>}	Si[6](N[6]Si[6,6]H)2(NSi[6]H)(CH3){2|C<4>,3|N<3>}	126.6980	3.021	2	126.6980	9.125	2	126.6980	9.125	2	126.6980	9.125	2	126.6980	9.125	2	124.8113	24.558	7
856	658	658	6:SP3_SP3_SP3	N[6]	Si[6]	Si[6]	4:4:1:	3:3:3:4:	3:3:3:4:	Si[6]-4:Si[6]-4:H-1:	N[6]-3:N[6]-3:N-3:C-4:	N[6]-3:N[6]-3:N-3:C-4:	N[6](Si[6]N[6]CN)2(H)	Si[6](N[6]Si[6]H)2(NSi[6]H)(CH3)	Si[6](N[6]Si[6]H)2(NSi[6]H)(CH3)	N[6](Si[6]N[6]CN)2(H){1|Si<4>,2|H<1>}	Si[6](N[6]Si[6]H)2(NSi[6]H)(CH3){2|C<4>,3|N<3>}	Si[6](N[6]Si[6]H)2(NSi[6]H)(CH3){2|C<4>,3|N<3>}	131.5700	0.000	1	131.5700	0.000	1	131.5700	0.000	1	131.5700	0.000	1	130.1630	3.959	2	124.8113	24.558	7
856	658	658	6:SP3_SP3_SP3	N[6]	Si[6]	Si[6]	4:4:1:	3:3:4:4:	3:3:4:4:	Si[6]-4:Si[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	N[6]-3:N[6]-3:C-4:C-4:	N[6](Si[6]N[6]CC)2(H)	Si[6](N[6]Si[6]Al)(N[6]Si[6]H)(CH3)2	Si[6](N[6]Si[6]Al)(N[6]Si[6]H)(CH3)2	N[6](Si[6]N[6]CC)2(H){1|Si<4>,2|Al<4>}	Si[6](N[6]Si[6]Al)(N[6]Si[6]H)(CH3)2{1|N<3>,4|C<4>}	Si[6](N[6]Si[6]Al)(N[6]Si[6]H)(CH3)2{1|N<3>,4|C<4>}	128.7560	0.000	1	128.7560	0.000	1	128.7560	0.000	1	128.7560	0.000	1	130.1630	3.959	2	124.8113	24.558	7
856	658	762	0:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:1:	Si[6]-4:C[6]-3:C[6]-3:	N[6]-3:N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6](Si[6]N[6]2O)(C[6]C[6]H)2	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(O)	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	N[6](Si[6]N[6]2O)(C[6]C[6]H)2{2|H<1>,5|C<3>}	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(O){1|C<4>,2|H<1>,8|C<3>}	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	121.3755	2.880	2	121.3755	8.295	2	121.3755	8.295	2	121.3755	8.295	2	121.5857	1.722	6	121.5857	1.722	6
856	658	762	0:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:2:	3:3:1:	Si[6]-4:C[6]-3:C[6]-3:	N[6]-3:N[6]-3:N[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	N[6](Si[6]N[6]2O)(C[6]C[6]H)2	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(OZn)	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	N[6](Si[6]N[6]2O)(C[6]C[6]H)2{2|H<1>,5|C<3>}	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(OZn){1|C<4>,2|H<1>,8|C<3>}	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|N<3>}	121.6000	0.387	2	121.6000	0.150	2	121.6000	0.150	2	121.6000	0.150	2	121.5857	1.722	6	121.5857	1.722	6
856	658	762	0:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:3:	3:3:1:	Si[6]-4:C[6]-3:C[6]-3:	N[6]-3:N[6]-3:N[6]-3:P-3:	N[6]-3:C[6]-3:H-1:	N[6](Si[6]N[6]2P)(C[6]C[6]H)2	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PCrH)	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	N[6](Si[6]N[6]2P)(C[6]C[6]H)2{2|H<1>,5|C<3>}	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PCrH){1|C<4>,2|H<1>,8|C<3>}	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>,3|N<3>}	121.7815	0.013	2	121.7815	0.000	2	121.7815	0.000	2	121.7815	0.000	2	121.5857	1.722	6	121.5857	1.722	6
856	658	762	6:SP2_SP2_SP3	N[6,6]	Si[6]	C[3x6]	3:4:4:	3:2:4:4:	3:3:3:	C[3x6]-3:Si[6]-4:C[6]-4:	N[6,6]-3:O[6]-2:C-4:C-4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	N[6,6](C[3x6]N[6,6]2)(Si[6]O[6]CC)(C[6]C[6]HH)	Si[6](N[6,6]C[3x6]C[6])(O[6]C[6])(CH3)2	C[3x6](N[6,6]Si[6]C[6])(N[6,6]C[6]2)2	N[6,6](C[3x6]N[6,6]2)(Si[6]O[6]CC)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	Si[6](N[6,6]C[3x6]C[6])(O[6]C[6])(CH3)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[3x6](N[6,6]Si[6]C[6])(N[6,6]C[6]2)2{1|O<1>,1|O<2>,4|C<4>,8|H<1>}	119.8990	0.000	1	119.8990	0.000	1	119.8990	0.000	1	119.8990	0.000	1	119.8990	0.000	1	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6,6]	C[6]	4:3:3:	3:3:4:4:	3:3:3:	Si[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-3:C-3:	N[6](Si[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC)	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CHH)	N[6](Si[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|H<1>,4|C<4>,5|C<3>}	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CHH){1|N<3>,2|C<3>,3|C<4>}	117.2280	0.000	1	117.2280	0.000	1	117.2280	0.000	1	117.2280	0.000	1	116.2200	2.032	2	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6,6]	C[6]	4:3:3:	3:3:4:4:	3:3:4:	Si[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6]-4:C[6]-4:	N[6]-3:C[6]-3:C-4:	N[6](Si[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC)	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3)	N[6](Si[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|H<1>,4|C<4>,5|C<3>}	Si[6,6](N[6]C[6a]C[6])2(C[6]C[6]HH)(C[6]N[6]CC){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	115.2120	0.000	1	115.2120	0.000	1	115.2120	0.000	1	115.2120	0.000	1	116.2200	2.032	2	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:2:1:1:	3:2:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6]-3:N[6]-2:N-3:	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N)	Si[6](N[6]C[6a]C[6])(N[6]C[6])(Cl)2	C[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC)	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N){2|C<4>,3|C<3>}	Si[6](N[6]C[6a]C[6])(N[6]C[6])(Cl)2{1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC){2|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	113.8930	0.000	1	113.8930	0.000	1	113.8930	0.000	1	113.8930	0.000	1	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:1:1:	3:3:1:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Cl-1:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H)	Si[6](N[6]C[6a]C[6])2(Cl)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H)	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	Si[6](N[6]C[6a]C[6])2(Cl)(H){1|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.6000	0.000	1	118.6000	0.000	1	118.6000	0.000	1	118.6000	0.000	1	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:1:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Br-1:Br-1:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(Br)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(Br)2{1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){2|Br<1>,1|C<4>,1|N<3>,2|C<3>}	120.8205	2.795	2	120.8205	7.813	2	120.8205	7.813	2	120.7297	3.931	3	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:1:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(Cl)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(Cl)2{1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	120.5480	0.000	1	120.5480	0.000	1	120.5480	0.000	1	120.7297	3.931	3	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:1:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:Br-1:Br-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]C[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])(C[6]C[6]H)(Br)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]C[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	Si[6](N[6]C[6a]C[6])(C[6]C[6]H)(Br)2{1|C<4>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Br<1>,1|N<3>,3|C<3>}	120.9575	0.473	2	120.9575	0.224	2	120.9575	0.224	2	118.9080	6.315	5	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:1:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Br-1:Br-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(Br)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(Br)2{1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Br<1>,1|N<3>,3|C<3>}	117.5480	3.322	2	117.5480	11.036	2	117.5480	11.036	2	118.9080	6.315	5	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:1:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(Cl)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(Cl)2{1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|N<3>,3|C<3>}	117.5290	0.000	1	117.5290	0.000	1	117.5290	0.000	1	118.9080	6.315	5	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:2:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:H-1:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(OC)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(OC)(H){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.1500	0.000	1	123.1500	0.000	1	122.9747	0.101	3	122.9747	0.101	3	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:2:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:H-1:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(OSi[6])(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(OSi[6])(H){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.8870	0.395	2	122.8870	0.156	2	122.9747	0.101	3	122.9747	0.101	3	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:2:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:H-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(OC)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(OC)(H){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	120.6470	0.000	1	120.6470	0.000	1	121.1233	0.170	3	121.3496	0.220	5	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:2:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:H-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(OSi[6])(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(OSi[6])(H){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	121.3615	0.022	2	121.3615	0.000	2	121.1233	0.170	3	121.3496	0.220	5	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:2:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:O-2:Se-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]SeO)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(OH)(Se)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]SeO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(OH)(Se){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Se<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	121.6890	0.392	2	121.6890	0.153	2	121.6890	0.153	2	121.3496	0.220	5	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:2:2:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Se-2:O-2:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]SeO)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(SeCu)(OCu)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]SeO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(SeCu)(OCu){2|C<4>,5|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Se<2>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	120.3510	0.181	2	120.3510	0.033	2	120.3510	0.033	2	120.3510	0.033	2	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]CH)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(CCP)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]CH)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(CCP)(H){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.8555	0.022	2	124.8555	0.000	2	124.8555	0.000	2	122.7001	3.410	12	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:F-1:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]C[6a]N[6]F)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(F)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]C[6a]N[6]F)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(F){1|C<4>,2|F<1>,8|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|F<1>,1|N<3>,3|C<3>}	123.3740	0.000	1	123.3740	0.000	1	123.3740	0.000	1	122.7001	3.410	12	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,8|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	123.0390	0.000	1	123.0390	0.000	1	123.0390	0.000	1	122.7001	3.410	12	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:Br-1:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]BrN)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(NHH)(Br)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]BrN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(NHH)(Br){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Br<1>,1|C<4>,2|C<3>,2|N<3>}	122.8240	0.228	2	122.8240	0.052	2	122.8240	0.052	2	122.7001	3.410	12	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(NHH)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(NHH)(H){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	124.2460	0.000	1	124.2460	0.000	1	121.3565	16.698	2	122.7001	3.410	12	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(NHN)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(NHN)(H){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	118.4670	0.000	1	118.4670	0.000	1	121.3565	16.698	2	122.7001	3.410	12	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]N)	Si[6](N[6]C[6a]C[6])2(NCH)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]N){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(NCH)(H){2|N<3>,5|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|H<1>,2|C<3>,3|N<3>}	122.8425	0.554	2	122.8425	0.307	2	122.8425	0.307	2	122.7001	3.410	12	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(O)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(O){1|C<4>,2|H<1>,8|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	122.0870	0.000	1	122.0870	0.000	1	122.0870	0.000	1	122.7001	3.410	12	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:Cl-1:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]ClP)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(PHH)(Cl)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]ClP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(PHH)(Cl){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	120.1440	0.000	1	120.1440	0.000	1	120.1440	0.000	1	122.7001	3.410	12	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]CH)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(CCP)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]CH)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(CCP)(H){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,4|C<3>}	123.8475	0.005	2	123.8475	0.000	2	123.8475	0.000	2	120.6244	6.856	10	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:F-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]C[6a]N[6]F)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(F)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]C[6a]N[6]F)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(F){1|C<4>,2|F<1>,8|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|F<1>,1|N<3>,4|C<3>}	119.5110	0.000	1	119.5110	0.000	1	119.5110	0.000	1	120.6244	6.856	10	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	Si[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,8|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,4|C<3>}	120.0270	0.000	1	120.0270	0.000	1	120.0270	0.000	1	120.6244	6.856	10	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:Br-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]BrN)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(NHH)(Br)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]BrN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(NHH)(Br){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<1>,2|N<3>,3|C<3>}	119.4610	0.004	2	119.4610	0.000	2	119.4610	0.000	2	120.6244	6.856	10	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(NHH)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(NHH)(H){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,2|N<3>,3|C<3>}	123.6240	0.000	1	123.6240	0.000	1	120.7620	16.382	2	120.6244	6.856	10	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(NHN)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(NHN)(H){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,2|N<3>,3|C<3>}	117.9000	0.000	1	117.9000	0.000	1	120.7620	16.382	2	120.6244	6.856	10	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(O)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(O){1|C<4>,2|H<1>,8|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|O<1>,2|N<3>,3|C<3>}	122.1640	0.000	1	122.1640	0.000	1	122.1640	0.000	1	120.6244	6.856	10	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:Cl-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]ClP)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(PHH)(Cl)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]ClP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(PHH)(Cl){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,1|P<3>,3|C<3>}	116.4010	0.000	1	116.4010	0.000	1	116.4010	0.000	1	120.6244	6.856	10	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:2:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N[6]-3:O-2:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(OZn)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(OZn){1|C<4>,2|H<1>,8|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	123.3830	0.000	1	123.3830	0.000	1	123.3830	0.000	1	123.3830	0.000	1	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:2:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N[6]-3:O-2:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(OZn)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(OZn){1|C<4>,2|H<1>,8|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|O<2>,2|N<3>,3|C<3>}	121.6660	0.000	1	121.6660	0.000	1	121.6660	0.000	1	121.6660	0.000	1	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-3:N-3:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]C[6a]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](C[6a]C[6a]N[6a])(N[6]C[6a]C[6])2(NHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]C[6a]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	Si[6](C[6a]C[6a]N[6a])(N[6]C[6a]C[6])2(NHH){1|C<4>,1|H<1>,8|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,2|N<3>,3|C<3>}	122.8935	0.525	2	122.8935	0.276	2	122.8935	0.276	2	121.8422	2.515	5	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:N-3:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(NHH)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(NHH)2{1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,2|C<3>,3|N<3>}	122.5300	0.000	1	122.5300	0.000	1	122.5300	0.000	1	121.8422	2.515	5	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N[6]-3:P-3:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PCrH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PCrH){1|C<4>,2|H<1>,8|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|P<3>,2|C<3>,2|N<3>}	121.7130	0.000	1	121.7130	0.000	1	121.7130	0.000	1	121.8422	2.515	5	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:3:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:P-3:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]PP)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(PHH)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]PP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(PHH)2{1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	119.1810	0.000	1	119.1810	0.000	1	119.1810	0.000	1	121.8422	2.515	5	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	C[6a]-3:N[6]-3:N[6]-3:N-3:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]C[6a]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](C[6a]C[6a]N[6a])(N[6]C[6a]C[6])2(NHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]C[6a]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	Si[6](C[6a]C[6a]N[6a])(N[6]C[6a]C[6])2(NHH){1|C<4>,1|H<1>,8|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|N<3>,4|C<3>}	119.5205	0.585	2	119.5205	0.342	2	119.5205	0.342	2	118.5282	3.260	5	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N-3:N-3:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(NHH)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(NHH)2{1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){3|C<3>,3|N<3>}	117.1950	0.000	1	117.1950	0.000	1	117.1950	0.000	1	118.5282	3.260	5	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:N[6]-3:P-3:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PCrH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	Si[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PCrH){1|C<4>,2|H<1>,8|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|P<3>,2|N<3>,3|C<3>}	120.2930	0.000	1	120.2930	0.000	1	120.2930	0.000	1	118.5282	3.260	5	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:3:3:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:P-3:P-3:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]PP)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(PHH)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]PP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(PHH)2{1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|N<3>,2|P<3>,3|C<3>}	116.1120	0.000	1	116.1120	0.000	1	116.1120	0.000	1	118.5282	3.260	5	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:4:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C-4:Br-1:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(CC[6a]HH)(Br)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(CC[6a]HH)(Br){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	118.1710	0.000	1	118.1710	0.000	1	118.1710	0.000	1	120.0873	2.891	3	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:4:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C-4:Cl-1:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(CClHH)(Cl)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(CClHH)(Cl){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	120.6760	0.000	1	120.6760	0.000	1	120.6760	0.000	1	120.0873	2.891	3	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:4:1:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Si-4:Cl-1:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(SiCl2H)(Cl)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(SiCl2H)(Cl){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>}	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	120.0873	2.891	3	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:4:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C-4:Br-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(CC[6a]HH)(Br)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(CC[6a]HH)(Br){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<1>,1|C<4>,1|N<3>,3|C<3>}	117.0850	0.000	1	117.0850	0.000	1	117.0850	0.000	1	118.0277	0.667	3	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:4:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C-4:Cl-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(CClHH)(Cl)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(CClHH)(Cl){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>}	118.4920	0.000	1	118.4920	0.000	1	118.4920	0.000	1	118.0277	0.667	3	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:4:1:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Si-4:Cl-1:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(SiCl2H)(Cl)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(SiCl2H)(Cl){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,3|C<3>}	118.5060	0.000	1	118.5060	0.000	1	118.5060	0.000	1	118.0277	0.667	3	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:4:2:	3:3:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Si-4:O-2:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]SiO)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(SiC3)(OS)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]SiO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(SiC3)(OS){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Si<4>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	118.8100	0.000	1	118.8100	0.000	1	118.8100	0.000	1	118.8100	0.000	1	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:3:4:2:	3:3:4:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:Si-4:O-2:	N[6]-3:C[6]-3:C-4:	N[6](Si[6]N[6]SiO)(C[6a]C[6a]2)(C[6]C[6]C)	Si[6](N[6]C[6a]C[6])2(SiC3)(OS)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	N[6](Si[6]N[6]SiO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si[6](N[6]C[6a]C[6])2(SiC3)(OS){1|C<4>,6|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Si<4>,1|N<3>,1|O<2>,3|C<3>}	115.2250	0.000	1	115.2250	0.000	1	115.2250	0.000	1	115.2250	0.000	1	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP2_SP2_SP3	N[6]	Si[6]	C[6]	4:3:4:	4:2:3:4:	3:3:3:	Si[6]-4:C[6]-3:C-4:	Si[5]-4:O[6]-2:N[6]-3:C-4:	C[6,6a]-3:N[6]-3:C-3:	N[6](Si[6]Si[5]O[6]C)(C[6]C[6,6a]C)(CC[6a]HH)	Si[6](Si[5]N[5]2C)(O[6]C[6,6a])(N[6]C[6]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6]C)(CHH)	N[6](Si[6]Si[5]O[6]C)(C[6]C[6,6a]C)(CC[6a]HH){1|C<4>,2|C<3>,2|N<3>}	Si[6](Si[5]N[5]2C)(O[6]C[6,6a])(N[6]C[6]C)(CH3){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6]C)(CHH){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	120.6552	6.318	63	120.5093	6.650	66
856	658	762	6:SP3_SP2_SP3	N[6]	Si[6]	C[6]	4:3:3:	3:2:1:1:	3:2:3:	Si[6]-4:C[6a]-3:C[6]-3:	N[6]-3:N[6]-2:Cl-1:Cl-1:	N[6]-3:N[6]-2:N-3:	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N)	Si[6](N[6]C[6a]C[6])(N[6]C[6])(Cl)2	C[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC)	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N){2|C<4>,3|C<3>}	Si[6](N[6]C[6a]C[6])(N[6]C[6])(Cl)2{1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC){2|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	114.4670	0.000	1	114.4670	0.000	1	114.4670	0.000	1	114.4670	0.000	1	114.4670	0.000	1	114.4670	0.000	1
856	658	951	0:SP3_SP-NON_SP3	N[6]	Si[6,6]	H	4:4:1:	3:3:3:4:	3:	Si[6,6]-4:Si[6]-4:H-1:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	N[6]-3:	N[6](Si[6,6]N[3x6]N[6]C)(Si[6]N[6]CN)(H)	Si[6,6](N[3x6]Si[6,6]2)(N[6]Si[6]H)2(CH3)	H(N[6]Si[6,6]Si[6])	N[6](Si[6,6]N[3x6]N[6]C)(Si[6]N[6]CN)(H){3|Si<4>,2|H<1>}	Si[6,6](N[3x6]Si[6,6]2)(N[6]Si[6]H)2(CH3){4|C<4>,6|N<3>}	H(N[6]Si[6,6]Si[6])	116.6140	1.583	2	116.6140	2.504	2	116.6140	2.504	2	116.6140	2.504	2	116.6140	2.504	2	115.7849	1.795	8
856	658	951	0:SP3_SP-NON_SP3	N[6]	Si[6]	H	4:4:1:	3:3:3:4:	3:	Si[6,6]-4:Si[6]-4:H-1:	N[6]-3:N[6]-3:N-3:C-4:	N[6]-3:	N[6](Si[6,6]N[3x6]N[6]C)(Si[6]N[6]CN)(H)	Si[6](N[6]Si[6,6]H)2(NSi[6]H)(CH3)	H(N[6]Si[6,6]Si[6])	N[6](Si[6,6]N[3x6]N[6]C)(Si[6]N[6]CN)(H){3|Si<4>,2|H<1>}	Si[6](N[6]Si[6,6]H)2(NSi[6]H)(CH3){2|C<4>,3|N<3>}	H(N[6]Si[6,6]Si[6])	116.6885	1.438	2	116.6885	2.067	2	116.6885	2.067	2	115.4518	2.728	4	115.5085	1.645	6	115.7849	1.795	8
856	658	951	0:SP3_SP-NON_SP3	N[6]	Si[6]	H	4:4:1:	3:3:3:4:	3:	Si[6]-4:Si[6]-4:H-1:	N[6]-3:N[6]-3:N-3:C-4:	N[6]-3:	N[6](Si[6]N[6]CN)2(H)	Si[6](N[6]Si[6]H)2(NSi[6]H)(CH3)	H(N[6]Si[6]2)	N[6](Si[6]N[6]CN)2(H){1|Si<4>,2|H<1>}	Si[6](N[6]Si[6]H)2(NSi[6]H)(CH3){2|C<4>,3|N<3>}	H(N[6]Si[6]2)	114.2150	0.017	2	114.2150	0.000	2	114.2150	0.000	2	115.4518	2.728	4	115.5085	1.645	6	115.7849	1.795	8
856	658	951	0:SP3_SP-NON_SP3	N[6]	Si[6]	H	4:4:1:	3:3:4:4:	3:	Si[6]-4:Si[6]-4:H-1:	N[6]-3:N[6]-3:C-4:C-4:	N[6]-3:	N[6](Si[6]N[6]CC)2(H)	Si[6](N[6]Si[6]Al)(N[6]Si[6]H)(CH3)2	H(N[6]Si[6]2)	N[6](Si[6]N[6]CC)2(H){1|Si<4>,2|Al<4>}	Si[6](N[6]Si[6]Al)(N[6]Si[6]H)(CH3)2{1|N<3>,4|C<4>}	H(N[6]Si[6]2)	115.6220	0.031	2	115.6220	0.001	2	115.6220	0.001	2	115.6220	0.001	2	115.5085	1.645	6	115.7849	1.795	8
856	663	762	0:SP2_SP2_SPD5	N[6]	B[3,3,5,6,6a,6a]	C[6]	5:3:3:	6:5:6:3:1:	3:3:1:	B[3,3,5,6,6a,6a]-5:C[6]-3:C[6]-3:	B[5x3,5,5a,6a]-6:B[3,3,3a,5,5a,6,3x6a]-5:B[4x3,5,5,6,3x6a]-6:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3,3,5,6,6a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H)(C[6]C[6]H)2	B[3,3,5,6,6a,6a](B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(B[4x3,5,5,6,3x6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]2H[3]H)(N[6]C[6]2)(H)	C[6](N[6]B[3,3,5,6,6a,6a]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,6,6a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H)(C[6]C[6]H)2{1|C<3>,1|H<2>,1|N<4>,3|B<6>,5|H<1>}	B[3,3,5,6,6a,6a](B[5x3,5,5a,6a]B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H)(B[3,3,3a,5,5a,6,3x6a]B[3x3,3a,3a,5,5,6]N[3a,3a,5a,3x6a]B[5x3,5,5a,6a]H)(B[4x3,5,5,6,3x6a]B[3x3,5,6,6a,6a]B[5x3,5,5a,6a]2H[3]H)(N[6]C[6]2)(H){1|B<5>,2|C<3>,7|H<1>}	C[6](N[6]B[3,3,5,6,6a,6a]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,2|B<6>,3|H<1>}	120.6845	2.804	2	120.6845	7.861	2	120.6845	7.861	2	120.6845	7.861	2	120.6845	7.861	2	120.6845	7.861	2
856	670	762	0:SP2_SP2_SP2	N[6]	Ge	C[6]	3:3:3:	3:1:1:	3:3:1:	C[6]-3:C[6]-3:Ge-3:	N[6]-3:Cl-1:Cl-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GeCl2)	Ge(N[6]C[6]2)(Cl)2	C[6](N[6]C[6]Ge)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GeCl2){1|C<3>,2|H<1>}	Ge(N[6]C[6]2)(Cl)2	C[6](N[6]C[6]Ge)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.4820	4.122	2	121.4820	16.994	2	121.4820	16.994	2	121.4820	16.994	2	121.4820	16.994	2	121.4820	16.994	2
856	679	727	0:SP2_SP2_SP3	N[6]	B[5a]	C[5a,6]	3:4:3:	3:2:2:3:	3:3:2:	C[5a,6]-3:B[5a]-4:C[6]-3:	N[6]-3:O[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6]-3:N[6]-3:O[5a]-2:	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H)	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2)	C[5a,6](C[5a,6]O[5a]C[6])(N[6]B[5a]C[6])(O[5a]B[5a])	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(N[6]B[5a]C[6])(O[5a]B[5a]){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	120.9370	0.000	1	120.9370	0.000	1	120.9370	0.000	1	120.9370	0.000	1	120.9370	0.000	1	120.9370	0.000	1
856	679	727	6:SP2_SP2_SP3	N[6]	B[5a,6]	C[5a,6]	4:3:4:	3:2:3:1:	3:3:3:	B[5a,6]-4:C[5a,6]-3:S-4:	N[5a,6]-3:O[5a]-2:N[6]-3:F-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6](B[5a,6]N[5a,6]O[5a]F)(C[5a,6]C[5a,6]N[5a])(SC[6a]OO)	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(N[6]B[5a,6]S)	N[6](B[5a,6]N[5a,6]O[5a]F)(C[5a,6]C[5a,6]N[5a])(SC[6a]OO){1|C<4>,1|N<2>,4|C<3>}	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F){1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(N[6]B[5a,6]S){1|F<1>,1|N<3>,1|O<2>,2|C<3>}	108.3290	0.000	1	108.3290	0.000	1	108.3290	0.000	1	108.3290	0.000	1	108.3290	0.000	1	108.3290	0.000	1
856	679	762	0:SP2_SP2_SP3	N[6,6]	B[5a,6]	C[6]	4:3:3:	3:2:2:2:	3:3:1:	B[5a,6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6])	C[6](N[6,6]B[5a,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6]){1|H<1>,6|C<3>}	C[6](N[6,6]B[5a,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	116.6583	0.422	3	116.6583	0.178	3	116.6583	0.178	3	116.6583	0.178	3	116.6583	0.178	3	120.1069	3.947	20
856	679	762	0:SP2_SP2_SP3	N[6]	B[5a]	C[6]	3:4:3:	3:2:2:3:	3:3:1:	C[5a,6]-3:B[5a]-4:C[6]-3:	N[6]-3:O[5a]-2:O[5a]-2:C[6a]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H)	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2)	C[6](N[6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6](N[6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	122.6030	0.000	1	122.6030	0.000	1	122.6030	0.000	1	122.6030	0.000	1	120.7155	2.041	17	120.1069	3.947	20
856	679	762	0:SP2_SP2_SP3	N[6]	B[5a]	C[6]	4:3:3:	2:2:3:3:	3:3:1:	B[5a]-4:C[6]-3:C[6]-3:	O[5a]-2:O[5a]-2:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2){4|H<1>,6|C<3>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.4557	1.462	4	120.7515	1.591	6	120.7515	1.591	6	120.7515	1.591	6	120.7155	2.041	17	120.1069	3.947	20
856	679	762	0:SP2_SP2_SP3	N[6]	B[5a]	C[6]	4:3:3:	2:2:3:3:	3:3:1:	B[5a]-4:C[6]-3:C[6]-3:	O[5a]-2:O[5a]-2:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2){4|H<1>,6|C<3>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	121.3430	0.700	2	120.7515	1.591	6	120.7515	1.591	6	120.7515	1.591	6	120.7155	2.041	17	120.1069	3.947	20
856	679	762	0:SP2_SP2_SP3	N[6]	B[5a]	C[6]	4:3:3:	2:2:3:4:	3:3:1:	B[5a]-4:C[6]-3:C[6]-3:	O[5a]-2:O[5a]-2:N[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)(CH3)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2{2|H<1>,3|C<3>}	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)(CH3){2|H<1>,4|C<3>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.4013	1.539	4	120.4013	2.368	4	120.4013	2.368	4	120.4013	2.368	4	120.7155	2.041	17	120.1069	3.947	20
856	679	762	0:SP2_SP2_SP3	N[6]	B[5a]	C[6]	4:3:3:	2:2:4:3:	3:3:1:	B[5a]-4:C[6]-3:C[6]-3:	O[5a]-2:O[5a]-2:C-4:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2{2|H<1>,3|C<3>}	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2){2|H<1>,4|C<3>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.5743	1.644	6	120.5743	2.703	6	120.5743	2.703	6	120.5743	2.703	6	120.7155	2.041	17	120.1069	3.947	20
856	679	762	6:SP2_SP2_SP3	N[6,6]	B[5a,6]	C[6,6]	4:3:3:	3:2:2:2:	3:3:3:	B[5a,6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6])	C[6,6](N[6,6]B[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6]){1|H<1>,6|C<3>}	C[6,6](N[6,6]B[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,3|O<2>,4|C<3>}	122.7040	0.572	3	122.7040	0.327	3	122.7040	0.327	3	122.7040	0.327	3	122.7040	0.327	3	121.0481	12.939	8
856	679	762	6:SP2_SP2_SP3	N[6]	B[5a,6]	C[6]	4:3:1:	3:2:2:3:	3:3:4:	B[5a,6]-4:C[6]-3:H-1:	C[6,6a]-3:O[5a]-2:O[5a]-2:N[6]-3:	N[6]-3:N[6]-3:C-4:	N[6](B[5a,6]C[6,6a]O[5a]2)(C[6]N[6]C)(H)	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(N[6]C[6]H)	C[6](N[6]B[5a,6]H)(N[6]C[6,6a]H)(CH3)	N[6](B[5a,6]C[6,6a]O[5a]2)(C[6]N[6]C)(H){1|H<1>,4|C<3>}	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]B[5a,6]H)(N[6]C[6,6a]H)(CH3){2|C<3>,2|O<2>}	126.2840	0.000	1	126.2840	0.000	1	126.2840	0.000	1	126.2840	0.000	1	120.0546	19.189	5	121.0481	12.939	8
856	679	762	6:SP2_SP2_SP3	N[6]	B[5a,6]	C[6]	4:3:3:	3:2:2:2:	3:3:1:	B[5a,6]-4:C[6]-3:C[6a]-3:	N[6]-3:O[5a]-2:O[5a]-2:O[6]-2:	C[6,6a]-3:N[6]-3:H-1:	N[6](B[5a,6]O[5a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5a,6]C[6a])(H)	N[6](B[5a,6]O[5a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a]){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5a,6]C[6a])(H){1|H<1>,3|O<2>,4|C<3>}	122.2470	0.000	1	122.2470	0.000	1	122.2470	0.000	1	122.2470	0.000	1	120.0546	19.189	5	121.0481	12.939	8
856	679	762	6:SP2_SP2_SP3	N[6]	B[5a,6]	C[6]	4:3:3:	3:3:2:1:	3:3:4:	B[5a,6]-4:C[6a]-3:C[6]-3:	N[5a,6]-3:N[6]-3:O[5a]-2:F-1:	N[6]-3:C[6]-3:C-4:	N[6](B[5a,6]N[5a,6]O[5a]F)(C[6a]C[6a]2)(C[6]C[6]C)	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F)	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3)	N[6](B[5a,6]N[5a,6]O[5a]F)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,5|C<3>}	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F){2|C<4>,5|C<3>}	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	119.7630	0.000	1	119.7630	0.000	1	119.7630	0.000	1	119.7630	0.000	1	120.0546	19.189	5	121.0481	12.939	8
856	679	762	6:SP2_SP2_SP3	N[6]	B[5a,6]	C[6]	4:3:3:	3:3:2:2:	3:3:4:	B[5a,6]-4:C[6a]-3:C[6]-3:	N[5a,6]-3:N[6]-3:O[5a]-2:O-2:	N[6]-3:C[6]-3:C-4:	N[6](B[5a,6]N[5a,6]O[5a]O)(C[6a]C[6a]2)(C[6]C[6]C)	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6])	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3)	N[6](B[5a,6]N[5a,6]O[5a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,2|H<1>,5|C<3>}	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6]){2|C<4>,5|C<3>}	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	115.9895	0.087	2	115.9895	0.008	2	115.9895	0.008	2	115.9895	0.008	2	120.0546	19.189	5	121.0481	12.939	8
856	679	818	0:SP2_SP2_SP3	N[6]	B[5a]	C[5,6]	4:3:4:	4:3:2:2:	3:3:4:	B[5a]-4:C[5,6]-3:C[6]-4:	B[5a]-4:N[6]-3:O[5a]-2:O[5a]-2:	N[5,6]-3:N[6]-3:C[5]-4:	N[6](B[5a]B[5a]O[5a]2)(C[5,6]N[5,6]C[5])(C[6]C[6]HH)	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2	C[5,6](N[5,6]C[5]C[6])(N[6]B[5a]C[6])(C[5]C[5]HH)	N[6](B[5a]B[5a]O[5a]2)(C[5,6]N[5,6]C[5])(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2{1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[6]B[5a]C[6])(C[5]C[5]HH){1|B<4>,1|C<4>,2|O<2>,8|H<1>}	122.6440	0.000	1	122.6440	0.000	1	122.6440	0.000	1	122.6440	0.000	1	122.6440	0.000	1	122.6440	0.000	1
856	679	951	0:SP2_SP-NON_SP3	N[6]	B[5a,6]	H	4:3:1:	3:2:2:3:	3:	B[5a,6]-4:C[6]-3:H-1:	C[6,6a]-3:O[5a]-2:O[5a]-2:N[6]-3:	N[6]-3:	N[6](B[5a,6]C[6,6a]O[5a]2)(C[6]N[6]C)(H)	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(N[6]C[6]H)	H(N[6]B[5a,6]C[6])	N[6](B[5a,6]C[6,6a]O[5a]2)(C[6]N[6]C)(H){1|H<1>,4|C<3>}	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(N[6]B[5a,6]C[6])	122.3550	0.000	1	122.3550	0.000	1	122.3550	0.000	1	122.3550	0.000	1	122.3550	0.000	1	122.3550	0.000	1
856	679	952	0:SP2_SP3_SP3	N[6]	B[5a,6]	S	4:3:4:	3:2:3:1:	3:3:1:1:	B[5a,6]-4:C[5a,6]-3:S-4:	N[5a,6]-3:O[5a]-2:N[6]-3:F-1:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](B[5a,6]N[5a,6]O[5a]F)(C[5a,6]C[5a,6]N[5a])(SC[6a]OO)	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F)	S(N[6]B[5a,6]C[5a,6])(C[6a]C[6a]2)(O)2	N[6](B[5a,6]N[5a,6]O[5a]F)(C[5a,6]C[5a,6]N[5a])(SC[6a]OO){1|C<4>,1|N<2>,4|C<3>}	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F){1|N<3>,3|C<3>}	S(N[6]B[5a,6]C[5a,6])(C[6a]C[6a]2)(O)2	120.6050	0.000	1	120.6050	0.000	1	120.6050	0.000	1	120.6050	0.000	1	120.6050	0.000	1	120.6050	0.000	1
856	722	762	0:SP2_SP2_SPD5	N[6]	Si[4]	C[6]	5:3:3:	3:3:2:3:2:	3:3:1:	Si[4]-5:C[6]-3:C[6]-3:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	N[6]-3:C[6]-3:H-1:	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S)	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC)	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H)	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S){2|H<1>,5|C<3>}	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC){1|S<1>,4|H<1>,6|C<3>}	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	135.0925	0.890	2	135.0925	0.793	2	134.8573	0.562	3	119.3170	290.135	6	119.3170	290.135	6	119.3170	290.135	6
856	722	762	0:SP2_SP2_SPD5	N[6]	Si[4]	C[6]	5:3:3:	3:3:2:3:2:	3:3:1:	Si[4]-5:C[6]-3:C[6]-3:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	N[6]-3:C[6]-3:H-1:	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S)	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN)	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H)	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S){2|H<1>,5|C<3>}	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN){1|S<1>,4|H<1>,6|C<3>}	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	134.3870	0.000	1	134.3870	0.000	1	134.8573	0.562	3	119.3170	290.135	6	119.3170	290.135	6	119.3170	290.135	6
856	722	762	0:SP2_SP2_SPD5	N[6]	Si[4]	C[6]	5:3:3:	3:3:2:3:2:	3:3:1:	Si[4]-5:C[6]-3:C[6]-3:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	N[6]-3:C[6]-3:S-1:	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S)	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC)	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(S)	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S){2|H<1>,5|C<3>}	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NC){1|S<1>,4|H<1>,6|C<3>}	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(S){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	103.6250	0.635	2	103.6250	0.403	2	103.7767	0.271	3	119.3170	290.135	6	119.3170	290.135	6	119.3170	290.135	6
856	722	762	0:SP2_SP2_SPD5	N[6]	Si[4]	C[6]	5:3:3:	3:3:2:3:2:	3:3:1:	Si[4]-5:C[6]-3:C[6]-3:	N[4,6]-3:C[6a]-3:S[4]-2:N[6]-3:N-2:	N[6]-3:C[6]-3:S-1:	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S)	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN)	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(S)	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S){2|H<1>,5|C<3>}	Si[4](N[4,6]C[4,6]C[6])(C[6a]C[6a]2)(S[4]C[4,6])(N[6]C[6]2)(NN){1|S<1>,4|H<1>,6|C<3>}	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(S){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	104.0800	0.000	1	104.0800	0.000	1	103.7767	0.271	3	119.3170	290.135	6	119.3170	290.135	6	119.3170	290.135	6
856	722	762	6:SP2_SP2_SPD5	N[6]	Si[4,6]	C[6]	5:3:3:	3:3:3:1:1:	3:2:3:	Si[4,6]-5:C[6a]-3:C[6]-3:	N[4,6]-3:N[4,6]-3:N[6]-3:F-1:F-1:	N[6]-3:N[6]-2:N-3:	N[6](Si[4,6]N[4,6]2FF)(C[6a]C[6a]2)(C[6]N[6]N)	Si[4,6](N[4,6]Si[4,6]C[6])2(N[6]C[6a]C[6])(F)2	C[6](N[6]Si[4,6]C[6a])(N[6]C[6])(NCC)	N[6](Si[4,6]N[4,6]2FF)(C[6a]C[6a]2)(C[6]N[6]N){1|Si<5>,2|C<4>,4|C<3>}	Si[4,6](N[4,6]Si[4,6]C[6])2(N[6]C[6a]C[6])(F)2{2|C<3>,2|F<1>,2|N<2>,4|N<3>}	C[6](N[6]Si[4,6]C[6a])(N[6]C[6])(NCC){2|C<3>,2|F<1>,3|N<3>}	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1
856	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:1:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6](C[5a,6]C[5a,6]N[5a])2(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]H)(N[5a]O[5a])	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]H)(N[5a]O[5a])	N[6](C[5a,6]C[5a,6]N[5a])2(H){1|N<3>,2|N<2>,2|O<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]H)(N[5a]O[5a]){1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]H)(N[5a]O[5a]){1|N<2>,2|C<3>}	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	114.5896	0.811	8	114.5896	0.811	8
856	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6](C[5a,6]C[5a,6]N[5a])2(C[6]N[6]2)	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6])(N[5a]O[5a])	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6])(N[5a]O[5a])	N[6](C[5a,6]C[5a,6]N[5a])2(C[6]N[6]2){2|N<2>,2|O<2>,3|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6])(N[5a]O[5a]){1|C<3>,1|H<1>,3|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6])(N[5a]O[5a]){1|C<3>,1|H<1>,3|N<2>}	114.0360	0.000	1	113.9375	0.019	2	113.9375	0.019	2	113.8703	0.023	3	114.5896	0.811	8	114.5896	0.811	8
856	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6](C[5a,6]C[5a,6]N[5a])2(C[6]N[6]2)	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6])(N[5a]O[5a])	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6])(N[5a]O[5a])	N[6](C[5a,6]C[5a,6]N[5a])2(C[6]N[6]2){2|N<2>,2|O<2>,3|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6])(N[5a]O[5a]){2|C<3>,3|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6])(N[5a]O[5a]){2|C<3>,3|N<2>}	113.8390	0.000	1	113.9375	0.019	2	113.9375	0.019	2	113.8703	0.023	3	114.5896	0.811	8	114.5896	0.811	8
856	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6](C[5a,6]C[5a,6]N[5a])2(C[6a]C[6a]2)	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6a])(N[5a]O[5a])	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6a])(N[5a]O[5a])	N[6](C[5a,6]C[5a,6]N[5a])2(C[6a]C[6a]2){1|H<1>,2|C<3>,2|N<2>,2|N<3>,2|O<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6a])(N[5a]O[5a]){1|N<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6a])(N[5a]O[5a]){1|N<2>,4|C<3>}	113.7360	0.000	1	113.7360	0.000	1	113.7360	0.000	1	113.8703	0.023	3	114.5896	0.811	8	114.5896	0.811	8
856	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6]-3:N[6]-3:S[5a]-2:	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])	C[5a,6](C[5a,6]C[5a,6a]S[6])(N[6]C[5a,6]C[6a])(S[5a]C[5a,6a])	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2){2|H<1>,2|S<2>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a]){1|H<1>,1|S<2>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]S[6])(N[6]C[5a,6]C[6a])(S[5a]C[5a,6a]){6|C<3>}	115.5560	0.000	1	115.5560	0.000	1	115.5560	0.000	1	115.5560	0.000	1	114.5896	0.811	8	114.5896	0.811	8
856	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:C[5a]-3:	N[6](C[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[6](C[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2){3|S<2>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	114.8375	1.630	2	114.8375	2.657	2	114.8375	2.657	2	114.8375	2.657	2	114.5896	0.811	8	114.5896	0.811	8
856	727	727	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:4:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a,6]-3:N[6]-3:N[5a]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a,6]N[5a])(CC[5]HH)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[5a,6]C)	C[5a,6](N[5a,6]C[5a]C[6])(N[6]C[5a,6]C)(N[5a]C[5a])	N[6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a,6]N[5a])(CC[5]HH){1|C<4>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[5a,6]C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(N[6]C[5a,6]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	114.6890	0.000	1	114.6890	0.000	1	114.6890	0.000	1	114.6890	0.000	1	114.5896	0.811	8	114.5896	0.811	8
856	727	727	6:SP3_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:C[5a]-3:	N[6](C[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H)	N[6](C[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2){3|S<2>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>}	118.2070	0.000	1	118.2070	0.000	1	118.2070	0.000	1	115.4840	14.829	2	115.4840	14.829	2	115.4840	14.829	2
856	727	727	6:SP3_SP2_SP2	N[6]	C[5a,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[6](C[5a,6]C[5a,6a]C[5a,6])2(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a])	N[6](C[5a,6]C[5a,6a]C[5a,6])2(C[6a]C[6a]2){2|H<1>,3|S<2>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a]){1|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]S[6])(N[6]C[5a,6]C[6a]){1|H<1>,6|C<3>}	112.7610	0.000	1	112.7610	0.000	1	112.7610	0.000	1	115.4840	14.829	2	115.4840	14.829	2	115.4840	14.829	2
856	727	762	0:SP2_SP2_SP2	N[6,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[5a]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]S[6])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H)	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]S[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H){1|Ni<4>,1|H<1>,1|S<2>,4|C<3>}	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	118.3280	0.000	1	118.3280	0.000	1	118.3280	0.000	1	118.3280	0.000	1	119.9777	2.049	3	120.7335	4.274	16
856	727	762	0:SP2_SP2_SP2	N[6,6]	C[5a,6]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:N[5a]-3:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]N[5a]H)	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O)	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]N[5a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	120.8025	0.127	2	120.8025	0.016	2	120.8025	0.016	2	120.8025	0.016	2	119.9777	2.049	3	120.7335	4.274	16
856	727	762	0:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6]-3:N[6]-2:N[6]-2:	N[6](C[5a,6]C[5a,6]N[5a])2(C[6]N[6]2)	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6])(N[5a]O[5a])	C[6](N[6]C[5a,6]2)(N[6]N[6])2	N[6](C[5a,6]C[5a,6]N[5a])2(C[6]N[6]2){2|N<2>,2|O<2>,3|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6])(N[5a]O[5a]){1|C<3>,1|H<1>,3|N<2>}	C[6](N[6]C[5a,6]2)(N[6]N[6])2{2|N<2>,2|O<1>,3|C<3>}	122.6480	1.442	2	122.4267	0.794	4	122.4267	0.794	4	122.4267	0.794	4	122.4267	0.794	4	120.7335	4.274	16
856	727	762	0:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6]-3:N[6]-2:N[6]-2:	N[6](C[5a,6]C[5a,6]N[5a])2(C[6]N[6]2)	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6])(N[5a]O[5a])	C[6](N[6]C[5a,6]2)(N[6]N[6])2	N[6](C[5a,6]C[5a,6]N[5a])2(C[6]N[6]2){2|N<2>,2|O<2>,3|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]C[6])(N[5a]O[5a]){2|C<3>,3|N<2>}	C[6](N[6]C[5a,6]2)(N[6]N[6])2{2|N<2>,2|O<1>,3|C<3>}	122.2055	0.323	2	122.4267	0.794	4	122.4267	0.794	4	122.4267	0.794	4	122.4267	0.794	4	120.7335	4.274	16
856	727	762	0:SP2_SP2_SP2	N[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[5a]-2:S[5a]-2:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O)	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)2{5|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	117.2365	0.052	2	117.2365	0.003	2	117.2365	0.003	2	119.9882	10.439	4	120.2329	5.275	9	120.7335	4.274	16
856	727	762	0:SP2_SP2_SP2	N[6]	C[5a]	C[6]	3:3:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	N[5a]-2:S[5a]-2:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]N[6])(O)	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H){6|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]N[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]N[6])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	122.7400	1.013	2	122.7400	1.025	2	122.7400	1.025	2	119.9882	10.439	4	120.2329	5.275	9	120.7335	4.274	16
856	727	762	0:SP2_SP2_SP2	N[6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[5a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[5a]C[5a]2)(C[6]C[6]H)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[6]C[6]2)	C[6](N[6]C[5a]C[6])(C[6]C[6]H)(H)	N[6](C[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(N[6]C[6]2){4|H<1>,6|C<3>}	C[6](N[6]C[5a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	119.5965	0.390	2	119.5965	0.152	2	119.5965	0.152	2	119.5965	0.152	2	120.2329	5.275	9	120.7335	4.274	16
856	727	762	0:SP2_SP2_SP2	N[6]	C[5a]	C[6]	3:4:3:	2:2:3:	3:3:1:	C[5a]-3:C[6]-4:C[6]-3:	N[5a]-2:S[5a]-2:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6a]N[6]H)(C[6]C[6,6a]O)	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O)	N[6](C[5a]N[5a]S[5a])(C[6]C[6a]N[6]H)(C[6]C[6,6a]O){1|H<1>,6|C<3>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(N[6]C[6]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O){1|N<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	120.2329	5.275	9	120.7335	4.274	16
856	727	762	0:SP2_SP2_SP2	N[6]	C[5a]	C[6]	3:4:3:	3:3:3:	3:2:2:	C[5a]-3:C[6]-4:C[6]-3:	C[5a]-3:N[5a]-3:N[6]-3:	N[6]-3:N[6]-2:C-2:	N[6](C[5a]C[5a]N[5a])(C[6]C[5a,6]CS)(C[6]N[6]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(N[6]C[6]2)	C[6](N[6]C[5a]C[6])(N[6]C[5a,6])(CN)	N[6](C[5a]C[5a]N[5a])(C[6]C[5a,6]CS)(C[6]N[6]C){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(N[6]C[6]2){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|C<2>}	C[6](N[6]C[5a]C[6])(N[6]C[5a,6])(CN){1|C<2>,1|S<2>,2|C<3>,2|N<3>}	118.8720	0.000	1	118.8720	0.000	1	118.8720	0.000	1	118.8720	0.000	1	120.2329	5.275	9	120.7335	4.274	16
856	727	762	0:SP2_SP2_SP2	N[6]	C[5a]	C[6]	4:3:3:	3:2:3:	3:3:1:	C[6]-4:C[6]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[5a]N[5a]2)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[5a]N[5a]2){2|H<1>,6|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(N[6]C[6]2){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	122.8460	0.000	1	122.8460	0.000	1	122.8460	0.000	1	122.8460	0.000	1	120.2329	5.275	9	120.7335	4.274	16
856	727	762	6:SP2_SP2_SP2	N[6,6]	C[5a,6,6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a,6,6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:N[6,6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]H)(C[6]N[6]H)	C[5a,6,6](C[5a,6]N[5a]C[6])(N[5a,6]C[5a]C[6])(N[6,6]C[6]2)	C[6](N[6,6]C[5a,6,6]C[6])(N[6]C[6])(H)	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6,6](C[5a,6]N[5a]C[6])(N[5a,6]C[5a]C[6])(N[6,6]C[6]2){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[6](N[6,6]C[5a,6,6]C[6])(N[6]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1	117.1608	3.543	4	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6,6]	C[5a,6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:N[6,6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]H)(C[6]N[6]H)	C[5a,6,6](C[5a,6]N[5a]C[6])(N[5a,6]C[5a]C[6])(N[6,6]C[6]2)	C[6](N[6,6]C[5a,6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6,6](C[5a,6]N[5a]C[6])(N[5a,6]C[5a]C[6])(N[6,6]C[6]2){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[6](N[6,6]C[5a,6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	116.2810	0.000	1	117.1608	3.543	4	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6,6]	C[5a,6,6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6,6]-3:C[6,6a]-3:C[6]-3:	N[6,6]-3:C[5a,6]-3:N[5a,6]-3:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[5a,6,6](N[6,6]C[6,6a]C[6])(C[5a,6]C[5a]C[6])(N[5a,6]N[5a]C[6])	C[6](N[6,6]C[5a,6,6]C[6,6a])(C[6]C[6]HH)(O)	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5a,6,6](N[6,6]C[6,6a]C[6])(C[5a,6]C[5a]C[6])(N[5a,6]N[5a]C[6]){1|C<4>,1|O<1>,1|P<4>,2|C<3>,4|H<1>}	C[6](N[6,6]C[5a,6,6]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	118.6750	0.808	2	118.6750	0.652	2	118.6750	0.652	2	118.6750	0.652	2	117.1608	3.543	4	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6,6]	C[5a,6]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[6,6]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[5a]-3:	N[6,6]-3:C[6]-3:S[6]-2:	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]S[6])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H)	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]H)(S[6]C[6])	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]S[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[6,6]C[6,6]C[6])(C[5a]C[5a]H){1|Ni<4>,1|H<1>,1|S<2>,4|C<3>}	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]H)(S[6]C[6]){2|H<1>,4|C<3>}	121.7890	0.000	1	121.7890	0.000	1	121.7890	0.000	1	121.7890	0.000	1	121.7890	0.000	1	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6,6]	3:3:1:	3:2:3:	3:3:4:	C[5a,6]-3:C[6,6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(N[6]C[6,6]H)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(N[6]C[6,6]H){1|C<4>,5|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	120.4643	0.262	3	120.4643	0.069	3	120.4643	0.069	3	120.4643	0.069	3	119.4239	3.447	16	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:2:	3:3:4:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(N[5a]N[5a])	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(N[5a]N[5a]){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	118.8940	0.349	2	118.8940	0.122	2	118.8940	0.122	2	118.0756	0.783	8	119.4239	3.447	16	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:2:	3:3:4:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[6]C[6,6]H)(N[5a]N[5a])	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[6]C[6,6]H)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	118.0797	0.242	3	118.0797	0.059	3	118.0797	0.059	3	118.0756	0.783	8	119.4239	3.447	16	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:2:	3:3:4:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:N[6]-3:O[5a]-2:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(O[5a]N[5a])	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(O[5a]N[5a]){2|C<4>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	116.7630	0.000	1	116.8205	0.007	2	116.8205	0.007	2	118.0756	0.783	8	119.4239	3.447	16	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:2:	3:3:4:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:N[6]-3:O[5a]-2:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(O[5a]N[5a])	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(O[5a]N[5a]){2|C<4>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	116.8780	0.000	1	116.8205	0.007	2	116.8205	0.007	2	118.0756	0.783	8	119.4239	3.447	16	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:2:	3:3:4:	C[5a,6]-3:C[6,6]-3:H-1:	N[5a,6]-3:N[6]-3:N[5a]-2:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[6]C[6,6]H)(N[5a]C[5a])	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(N[6]C[6,6]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	118.9370	0.000	1	118.9370	0.000	1	118.9370	0.000	1	118.0756	0.783	8	119.4239	3.447	16	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6,6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6,6]H)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6,6]H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	117.3260	0.000	1	117.3260	0.000	1	117.3260	0.000	1	117.3260	0.000	1	119.4239	3.447	16	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6,6]	3:3:4:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6]-3:C-4:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[6,6]-3:N[6]-3:N[6]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3)	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[6,6]C)(N[5a]S[5a])	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3){2|C<3>,3|S<2>}	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[6,6]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	121.6730	0.000	1	121.8585	0.069	2	121.8648	0.023	4	121.8648	0.023	4	119.4239	3.447	16	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6,6]	3:3:4:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6]-3:C-4:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[6,6]-3:N[6]-3:N[6]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3)	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[6,6]C)(N[5a]S[5a])	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3){2|C<3>,3|S<2>}	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[6,6]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a]){1|H<1>,2|C<3>,2|N<2>}	122.0440	0.000	1	121.8585	0.069	2	121.8648	0.023	4	121.8648	0.023	4	119.4239	3.447	16	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6,6]	3:3:4:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6]-3:C-4:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[6,6]-3:N[6]-3:N[6]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3)	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[6,6]C)(N[5a]S[5a])	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3){2|C<3>,3|S<2>}	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[6,6]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6]){1|H<1>,2|C<3>,2|N<2>}	121.8710	0.000	2	121.8710	0.000	2	121.8648	0.023	4	121.8648	0.023	4	119.4239	3.447	16	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:2:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:N[6]-2:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,2|H<1>,2|N<2>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(H){1|C<3>,2|N<2>}	116.8280	0.000	1	116.6320	1.380	18	116.6320	1.380	18	116.6320	1.380	18	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:2:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:N[6]-2:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|N<2>,1|N<3>,3|H<1>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	116.5951	1.245	16	116.6320	1.380	18	116.6320	1.380	18	116.6320	1.380	18	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:2:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:N[6]-2:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){2|N<2>,3|H<1>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(H){1|C<3>,2|N<2>}	117.0270	0.000	1	116.6320	1.380	18	116.6320	1.380	18	116.6320	1.380	18	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:N[6]-2:N-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H){1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|N<2>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	117.1270	0.000	1	117.1270	0.000	1	117.2715	0.042	2	117.2715	0.042	2	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:N[6]-2:N-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]O[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H){1|C<3>,1|N<2>,1|O<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]O[5a])(N[6]C[6]H){1|N<2>,2|N<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	117.4160	0.000	1	117.4160	0.000	1	117.2715	0.042	2	117.2715	0.042	2	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|Os<9>,2|C<3>,2|H<1>}	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	120.5820	0.000	1	120.5820	0.000	1	120.5820	0.000	1	120.2297	4.455	6	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:N[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|N<3>,1|O<1>,3|H<1>}	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<1>}	117.3730	0.000	1	117.3730	0.000	1	117.3730	0.000	1	120.2297	4.455	6	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|O<1>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>}	120.4300	0.218	2	120.4300	0.047	2	120.4300	0.047	2	120.2297	4.455	6	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[6,6a]-3:N[6]-3:S-1:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]S)(H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]H)(S)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]S)(H){1|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]C[6]H){1|S<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]H)(S){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.6950	0.000	1	123.6950	0.000	1	123.6950	0.000	1	120.2297	4.455	6	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|N<2>,2|N<3>}	118.8680	0.000	1	118.8680	0.000	1	118.8680	0.000	1	120.2297	4.455	6	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,3|H<1>,4|C<3>}	118.5170	0.000	1	118.5170	0.000	1	118.5170	0.000	1	118.1414	0.137	5	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6]-3:C-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(COO)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	117.8050	0.000	1	117.8050	0.000	1	117.8050	0.000	1	118.1414	0.137	5	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6])(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|H<1>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	118.1283	0.383	3	118.1283	0.146	3	118.1283	0.146	3	118.1414	0.137	5	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:S[5a]-2:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	N[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|H<1>,1|S<2>,2|C<3>}	120.6070	0.000	1	120.6070	0.000	1	120.6070	0.000	1	119.8075	1.281	10	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.2755	0.135	2	121.2755	0.018	2	119.9633	0.930	8	119.8075	1.281	10	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CClHH)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CClHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	119.1730	0.000	1	119.1730	0.000	1	119.9633	0.930	8	119.8075	1.281	10	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	119.7690	0.000	1	119.7690	0.000	1	119.9633	0.930	8	119.8075	1.281	10	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]N)(CCHH)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.5100	0.000	1	120.5100	0.000	1	119.9633	0.930	8	119.8075	1.281	10	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CF3)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CF3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	118.6610	0.000	1	118.6610	0.000	1	119.9633	0.930	8	119.8075	1.281	10	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	119.5210	0.027	2	119.5210	0.001	2	119.9633	0.930	8	119.8075	1.281	10	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(N[6]C[6]O)	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(CH3)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(N[6]C[6]O){1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	117.7620	0.000	1	117.7620	0.000	1	117.7620	0.000	1	119.8075	1.281	10	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:4:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	120.9620	0.000	1	120.9620	0.000	1	120.9620	0.000	1	121.7677	0.580	3	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:4:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.4760	0.000	1	122.4760	0.000	1	122.1705	0.187	2	121.7677	0.580	3	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:2:3:	3:4:1:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]CC)(O)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,2|O<1>}	C[6](N[6]C[5a,6]H)(C[6]C[6]CC)(O){1|N<2>,1|N<3>,1|O<1>}	121.8650	0.000	1	121.8650	0.000	1	122.1705	0.187	2	121.7677	0.580	3	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6]-2:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6])(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H){1|C<2>,1|C<3>,1|N<2>,4|H<1>}	C[6](N[6]C[5a,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	119.7380	0.000	1	119.7380	0.000	1	119.7380	0.000	1	119.7380	0.000	1	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:N[6]-2:N-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(N[6]C[6]H){1|N<2>,3|N<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	119.0870	0.000	1	119.0870	0.000	1	119.0870	0.000	1	119.0870	0.000	1	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H){1|N<2>,2|C<3>,4|H<1>}	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.9155	0.736	4	118.9155	0.541	4	118.9515	0.341	6	118.6976	0.735	7	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>}	119.0235	0.252	2	119.0235	0.064	2	118.9515	0.341	6	118.6976	0.735	7	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]O)	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]O){1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	117.1740	0.000	1	117.1740	0.000	1	117.1740	0.000	1	118.6976	0.735	7	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:N[6]-3:N-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(NHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H){1|O<1>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	116.9080	0.000	1	116.9080	0.000	1	116.9080	0.000	1	118.7880	2.684	3	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<2>,5|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H){1|H<1>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|H<1>,4|C<3>}	119.9100	0.000	1	119.7280	0.066	2	119.7280	0.066	2	118.7880	2.684	3	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<2>,5|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|C<3>,4|H<1>}	119.5460	0.000	1	119.7280	0.066	2	119.7280	0.066	2	118.7880	2.684	3	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]O[6]HH)(O)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>}	C[6](N[6]C[5a,6]H)(C[6]O[6]HH)(O){2|C<3>}	119.0700	0.000	1	119.0700	0.000	1	119.0700	0.000	1	118.8784	0.246	8	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]CH)(O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]CH)(O){1|H<1>,1|N<3>,2|C<3>}	119.2830	0.806	2	119.2830	0.650	2	118.8510	0.280	7	118.8784	0.246	8	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>}	118.6815	0.411	4	118.6815	0.169	4	118.8510	0.280	7	118.8784	0.246	8	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HN)(O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]HN)(O){1|H<1>,1|N<3>,2|C<3>}	118.6650	0.000	1	118.6650	0.000	1	118.8510	0.280	7	118.8784	0.246	8	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6a]C[6])	C[6](N[6]C[5a,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6a]C[6]){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6](N[6]C[5a,6]C[6a])(C[6]C[6]CC)(O){1|O<1>,4|C<3>}	120.8790	0.000	1	120.8790	0.000	1	120.8790	0.000	1	120.8790	0.000	1	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:4:	3:2:3:	3:2:1:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:N[6]-2:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C)	C[6](N[6]C[5a,6]C)(N[6]C[6])(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(CH3){1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C){1|Sn<6>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[5a,6]C)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	116.4060	0.000	1	116.4060	0.000	1	116.4060	0.000	1	116.4060	0.000	1	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C)	C[6](N[6]C[5a,6]C)(N[6]C[6]C)(O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C){1|Cl<1>,1|Ir<6>,1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[5a,6]C)(N[6]C[6]C)(O){1|C<3>,1|N<2>,1|O<2>}	115.5060	0.000	1	118.4403	6.458	3	118.4403	6.458	3	118.4403	6.458	3	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C)	C[6](N[6]C[5a,6]C)(N[6]C[6]C)(O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C){1|Ir<6>,1|I<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[5a,6]C)(N[6]C[6]C)(O){1|C<3>,1|N<2>,1|O<2>}	119.9075	0.015	2	118.4403	6.458	3	118.4403	6.458	3	118.4403	6.458	3	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:B-4:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Rh)(N[6]C[6]B)	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BH3){1|Rh<5>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Rh)(N[6]C[6]B){1|C<3>,4|H<1>}	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	119.4287	10.744	3	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]C)	C[6](N[6]C[5a,6]C)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5a,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.0900	0.000	1	118.0900	0.000	1	118.0900	0.000	1	119.4287	10.744	3	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C-4:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]O)(CH3)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]O)(CH3){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(N[6]C[6]C){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O){1|H<1>,1|N<3>,3|C<3>}	123.1640	0.000	1	123.1640	0.000	1	123.1640	0.000	1	119.4287	10.744	3	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]C){1|O<1>,2|C<4>,3|H<1>}	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	118.7250	0.901	2	118.7250	0.812	2	118.8405	0.300	4	118.8405	0.300	4	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]S)(N[6]C[6]C)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]N[5a]S)(N[6]C[6]C){1|O<1>,2|C<4>,3|H<1>}	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	118.8210	0.000	1	118.8210	0.000	1	118.8405	0.300	4	118.8405	0.300	4	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]O)(N[6]C[6]C)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]O)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	119.0910	0.000	1	119.0910	0.000	1	118.8405	0.300	4	118.8405	0.300	4	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:3:5:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:B-5:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BRhH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Rh)(N[6]C[6]B)	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BRhH3){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Rh)(N[6]C[6]B){1|C<3>,4|H<1>}	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.6840	0.000	1	117.6840	0.000	1	117.6840	0.000	1	117.6840	0.000	1	118.5487	3.389	78	118.6668	3.596	99
856	727	762	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[6]	3:4:3:	3:3:2:	3:3:1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[5a,6]-3:N[6]-3:O[5a]-2:	N[6]-3:C[6]-3:H-1:	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H)	C[5a,6](C[5a,6]O[5a]C[6])(N[6]B[5a]C[6])(O[5a]B[5a])	C[6](N[6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(N[6]B[5a]C[6])(O[5a]B[5a]){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6](N[6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	116.3800	0.000	1	116.3800	0.000	1	116.3800	0.000	1	116.3800	0.000	1	118.5487	3.389	78	118.6668	3.596	99
856	727	818	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5a,6]-3:C[5,6]-3:C-4:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]N[5])(CCHH)	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[5,6]C)(N[5a]S[5a])	C[5,6](C[5,6]C[6]S[5])(N[6]C[5a,6]C)(N[5]S[5])	N[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]N[5])(CCHH){1|C<3>,4|S<2>}	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[5,6]C)(N[5a]S[5a]){1|C<3>,1|F<1>,1|N<2>}	C[5,6](C[5,6]C[6]S[5])(N[6]C[5a,6]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	121.5840	0.000	1	121.5840	0.000	1	121.7985	0.092	2	121.7985	0.092	2	121.7985	0.092	2	121.7985	0.092	2
856	727	818	6:SP2_SP2_SP2	N[6]	C[5a,6]	C[5,6]	3:3:4:	3:3:2:	3:3:2:	C[5a,6]-3:C[5,6]-3:C-4:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5,6]-3:N[6]-3:N[5]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]N[5])(CH3)	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[5,6]C)(N[5a]S[5a])	C[5,6](C[5,6]C[6]S[5])(N[6]C[5a,6]C)(N[5]S[5])	N[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]N[5])(CH3){1|C<3>,4|S<2>}	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[5,6]C)(N[5a]S[5a]){1|C<3>,1|F<1>,1|N<2>}	C[5,6](C[5,6]C[6]S[5])(N[6]C[5a,6]C)(N[5]S[5]){1|C<3>,1|F<1>,1|N<2>}	122.0130	0.000	1	122.0130	0.000	1	121.7985	0.092	2	121.7985	0.092	2	121.7985	0.092	2	121.7985	0.092	2
856	727	856	0:SP2_SP2_SP2	N[6]	C[5a]	N[6]	3:3:3:	2:2:3:	4:3:1:	C[5a]-3:C[6]-3:N[6]-3:	N[5a]-2:S[5a]-2:N[6]-3:	C[6,6]-4:N[6]-3:H-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]N[6])	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H)	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H){6|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]N[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H){1|N<2>,1|O<1>,1|S<2>,6|C<3>}	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1
856	727	856	0:SP2_SP2_SP3	N[6]	C[5a]	N[6]	3:3:3:	2:2:3:	4:3:1:	C[5a]-3:C[6]-3:N[6]-3:	N[5a]-2:S[5a]-2:N[6]-3:	C[6,6]-4:N[6]-3:H-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]N[6])	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H)	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H){6|C<3>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(N[6]C[6]N[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H){1|N<2>,1|O<1>,1|S<2>,6|C<3>}	115.6370	0.000	1	115.6370	0.000	1	115.6370	0.000	1	115.6370	0.000	1	115.6370	0.000	1	115.6370	0.000	1
856	727	856	6:SP3_SP2_SP2	N[6]	C[5a,6]	N[6]	3:3:4:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-3:C-4:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CH3)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]N[6]C)	N[6](N[6]C[5a,6]C)(C[6]C[6]O)(H)	N[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]N[6]C){1|C<3>,3|H<1>}	N[6](N[6]C[5a,6]C)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|H<1>}	113.3000	0.000	1	113.3000	0.000	1	113.3000	0.000	1	113.3000	0.000	1	113.3000	0.000	1	113.3000	0.000	1
856	727	863	0:SP2_SP2_SP2	N[6]	C[5a,6]	O	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(N[6]C[6]O)	O(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(N[6]C[6]O){1|C<3>,1|N<3>,2|C<4>}	O(N[6]C[5a,6]C[6])	120.2530	0.000	1	120.2530	0.000	1	120.2530	0.000	1	120.2530	0.000	1	120.9515	0.976	2	120.9515	0.976	2
856	727	863	0:SP2_SP2_SP2	N[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]O)	O(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]O){1|C<3>,1|N<3>,2|H<1>}	O(N[6]C[5a,6]C[6])	121.6500	0.000	1	121.6500	0.000	1	121.6500	0.000	1	121.6500	0.000	1	120.9515	0.976	2	120.9515	0.976	2
856	727	874	6:SP2_SP2_SP3	N[6]	C[5a,6]	B[6]	3:4:3:	3:3:2:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[6a]-3:	C[5a,6]-3:N[6]-3:S[5a]-2:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6](C[5a,6]C[5a,6]S[5a])(B[6]N[6,6]FF)(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[6,6]N[5a])(N[6]C[6a]B[6])(S[5a]C[5a])	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2	N[6](C[5a,6]C[5a,6]S[5a])(B[6]N[6,6]FF)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[6,6]N[5a])(N[6]C[6a]B[6])(S[5a]C[5a]){1|N<3>,2|F<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2{1|H<1>,1|S<2>,5|C<3>}	118.0420	0.000	1	118.0420	0.000	1	118.0420	0.000	1	118.0420	0.000	1	122.8346	3.224	11	122.8346	3.224	11
856	727	874	6:SP2_SP2_SP3	N[6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6])	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	121.4150	0.000	1	123.3139	0.775	10	123.3139	0.775	10	123.3139	0.775	10	122.8346	3.224	11	122.8346	3.224	11
856	727	874	6:SP2_SP2_SP3	N[6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6])	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|N<3>,2|C<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	123.6350	0.410	4	123.3139	0.775	10	123.3139	0.775	10	123.3139	0.775	10	122.8346	3.224	11	122.8346	3.224	11
856	727	874	6:SP2_SP2_SP3	N[6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6])	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|N<3>,2|C<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6]){1|Pd<4>,1|H<1>,1|N<3>,2|F<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	123.4693	1.011	3	123.3139	0.775	10	123.3139	0.775	10	123.3139	0.775	10	122.8346	3.224	11	122.8346	3.224	11
856	727	874	6:SP2_SP2_SP3	N[6]	C[5a,6]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6])	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[6]C[6a]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	123.3880	0.570	2	123.3139	0.775	10	123.3139	0.775	10	123.3139	0.775	10	122.8346	3.224	11	122.8346	3.224	11
856	727	930	0:SP2_SP2_SP2	N[6]	C[5a,6]	C	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[6a]-3:N[6]-3:O-1:	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(CC[6a]O)	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(N[6]C[6]C)	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(O)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(CC[6a]O){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]S[5a])(C[5a]C[5a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	C(C[6a]C[6a]N[6a])(N[6]C[5a,6]C[6])(O)	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6,6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(N[6]C[6,6]H)	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a])(N[6]C[6,6]H){1|C<4>,5|C<3>}	H(N[6]C[5a,6]C[6,6])	119.6187	0.378	3	119.6187	0.143	3	119.6187	0.143	3	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|Os<9>,2|C<3>,2|H<1>}	H(N[6]C[5a,6]C[6])	119.7540	0.000	1	119.7540	0.000	1	121.6187	4.600	26	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(N[6]C[5a,6]C[6])	119.5200	0.000	1	119.5200	0.000	1	121.6187	4.600	26	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){2|H<1>,4|C<3>}	H(N[6]C[5a,6]C[6])	120.7400	0.000	1	120.7400	0.000	1	121.6187	4.600	26	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|N<3>,1|O<1>,3|H<1>}	H(N[6]C[5a,6]C[6])	123.8620	0.000	1	123.8620	0.000	1	121.6187	4.600	26	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,2|H<1>,2|N<2>}	H(N[6]C[5a,6]C[6])	124.2910	0.000	1	121.8501	5.579	18	121.6187	4.600	26	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|N<2>,1|N<3>,3|H<1>}	H(N[6]C[5a,6]C[6])	121.8590	2.341	16	121.8501	5.579	18	121.6187	4.600	26	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){2|N<2>,3|H<1>}	H(N[6]C[5a,6]C[6])	119.2660	0.000	1	121.8501	5.579	18	121.6187	4.600	26	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H){1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|N<2>,2|H<1>,2|N<3>}	H(N[6]C[5a,6]C[6])	121.8680	0.000	1	121.8680	0.000	1	121.6187	4.600	26	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]O[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H){1|C<3>,1|N<2>,1|O<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]O[5a])(N[6]C[6]H){1|N<2>,2|N<3>}	H(N[6]C[5a,6]C[6])	121.8590	0.000	1	121.8590	0.000	1	121.6187	4.600	26	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|O<1>,2|H<1>,2|N<3>}	H(N[6]C[5a,6]C[6])	120.5910	1.807	2	120.5910	3.267	2	121.6187	4.600	26	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:S[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[5a,6]C[6])	119.6950	0.000	1	119.6950	0.000	1	119.6950	0.000	1	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]S)(H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]S)(H){1|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]C[6]H){1|S<1>,1|S<2>,2|C<3>}	H(N[6]C[5a,6]C[6])	118.1800	0.000	1	118.1800	0.000	1	118.2152	3.647	17	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]N[5a,6])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]N[5a,6])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(N[6]C[5a,6]C[6])	118.7600	0.000	1	118.7600	0.000	1	118.2152	3.647	17	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	H(N[6]C[5a,6]C[6])	119.3680	0.071	2	119.3680	0.005	2	118.2152	3.647	17	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){2|H<1>,3|C<3>}	H(N[6]C[5a,6]C[6])	121.0980	0.000	1	118.5085	12.575	4	118.2152	3.647	17	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(N[6]C[5a,6]C[6])	116.7170	0.000	1	118.5085	12.575	4	118.2152	3.647	17	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(N[6]C[5a,6]C[6])	118.1095	5.243	2	118.5085	12.575	4	118.2152	3.647	17	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,1|H<1>,2|C<3>}	H(N[6]C[5a,6]C[6])	118.2453	0.722	3	118.2453	0.521	3	118.2152	3.647	17	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|N<3>,2|H<1>}	H(N[6]C[5a,6]C[6])	120.5400	0.000	1	120.5400	0.000	1	118.2152	3.647	17	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(N[6]C[5a,6]C[6])	117.1580	0.000	1	117.1580	0.000	1	118.2152	3.647	17	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,2|O<1>}	H(N[6]C[5a,6]C[6])	116.9320	0.000	1	116.9320	0.000	1	118.2152	3.647	17	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6])(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|H<1>,3|C<3>}	H(N[6]C[5a,6]C[6])	116.8610	1.143	3	116.8610	1.306	3	118.2152	3.647	17	120.2191	6.395	47	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])2(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]H)(N[5a]O[5a])	H(N[6]C[5a,6]2)	N[6](C[5a,6]C[5a,6]N[5a])2(H){1|N<3>,2|N<2>,2|O<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6]H)(N[5a]O[5a]){1|N<2>,2|C<3>}	H(N[6]C[5a,6]2)	122.4070	0.102	2	122.4070	0.010	2	122.4070	0.010	2	121.3934	0.913	12	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(N[5a]N[5a])	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(N[5a]N[5a]){1|H<1>,2|C<4>,3|C<3>}	H(N[6]C[5a,6]C[6,6])	120.1390	0.416	2	120.1390	0.173	2	120.6328	0.251	5	121.3934	0.913	12	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[6]C[6,6]H)(N[5a]N[5a])	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[6]C[6,6]H)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[5a,6]C[6,6])	120.9620	0.093	3	120.9620	0.009	3	120.6328	0.251	5	121.3934	0.913	12	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:N[6]-3:O[5a]-2:	N[6]-3:	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(O[5a]N[5a])	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(O[5a]N[5a]){2|C<4>,3|C<3>}	H(N[6]C[5a,6]C[6,6])	121.6125	0.035	2	121.6125	0.001	2	121.6125	0.001	2	121.3934	0.913	12	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6]-3:H-1:	N[5a,6]-3:N[6]-3:N[5a]-2:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[6]C[6,6]H)(N[5a]C[5a])	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(N[6]C[6,6]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[5a,6]C[6,6])	120.5370	0.000	1	120.5370	0.000	1	120.5370	0.000	1	121.3934	0.913	12	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[6,6a]H)(N[5a]O[5a])	H(N[6]C[5a,6]C[6,6a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(H){1|C<3>,1|N<3>,1|O<2>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[6,6a]H)(N[5a]O[5a]){1|C<3>,1|N<2>}	H(N[6]C[5a,6]C[6,6a])	121.8410	0.000	1	121.8410	0.000	1	121.8410	0.000	1	121.3934	0.913	12	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[5a,6]-3:N[6]-3:O[5a]-2:	N[6]-3:	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]N[6a])(H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6a]H)(O[5a]N[5a])	H(N[6]C[5a,6]C[6,6a])	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6a]H)(O[5a]N[5a]){1|N<3>,4|C<3>}	H(N[6]C[5a,6]C[6,6a])	123.1400	0.000	1	123.1400	0.000	1	123.1400	0.000	1	121.3934	0.913	12	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6,6]H)	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6,6]H){1|H<1>,2|C<3>,2|C<4>}	H(N[6]C[5a,6]C[6,6])	112.7870	0.000	1	112.7870	0.000	1	112.7870	0.000	1	121.6526	8.130	24	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[5a,6]-3:N[6]-3:C[5a]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[6]C[6,6a]H)(C[5a]C[5a]H)	H(N[6]C[5a,6]C[6,6a])	N[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[6]C[6,6a]H)(C[5a]C[5a]H){1|Ni<4>,4|C<3>}	H(N[6]C[5a,6]C[6,6a])	124.7240	0.000	1	124.7240	0.000	1	124.7240	0.000	1	121.6526	8.130	24	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(N[6]C[6,6a]H)	H(N[6]C[5a,6]C[6,6a])	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(N[6]C[6,6a]H){1|H<1>,1|O<1>,5|C<3>}	H(N[6]C[5a,6]C[6,6a])	121.6450	0.000	1	121.6450	0.000	1	121.6450	0.000	1	121.6526	8.130	24	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(N[6]C[6,6a]H)	H(N[6]C[5a,6]C[6,6a])	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(N[6]C[6,6a]H){1|N<3>,2|H<1>,5|C<3>}	H(N[6]C[5a,6]C[6,6a])	123.7685	3.574	2	123.7685	12.777	2	123.7685	12.777	2	121.6526	8.130	24	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(H)	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6]N[5a]O[6])(C[5a]N[5a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>}	H(N[6]C[5a,6]C[6])	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	121.6526	8.130	24	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H){1|N<2>,2|C<3>,4|H<1>}	H(N[6]C[5a,6]C[6])	122.0015	1.647	4	122.6766	4.313	5	122.0617	4.797	15	121.6526	8.130	24	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H){1|C<2>,1|C<3>,1|N<2>,4|H<1>}	H(N[6]C[5a,6]C[6])	125.3770	0.000	1	122.6766	4.313	5	122.0617	4.797	15	121.6526	8.130	24	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	H(N[6]C[5a,6]C[6])	119.1740	1.867	2	119.1740	3.485	2	122.0617	4.797	15	121.6526	8.130	24	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(N[6]C[5a,6]C[6])	120.6435	0.859	2	122.5230	4.348	7	122.0617	4.797	15	121.6526	8.130	24	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(N[6]C[5a,6]C[6])	120.6320	0.000	1	122.5230	4.348	7	122.0617	4.797	15	121.6526	8.130	24	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(N[6]C[5a,6]C[6])	123.9355	1.498	4	122.5230	4.348	7	122.0617	4.797	15	121.6526	8.130	24	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H){1|O<1>,2|H<1>,2|N<3>}	H(N[6]C[5a,6]C[6])	121.5340	0.000	1	121.5340	0.000	1	122.0617	4.797	15	121.6526	8.130	24	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<2>,5|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H){1|H<1>,4|C<3>}	H(N[6]C[5a,6]C[6])	119.4510	0.000	1	120.5315	2.335	2	120.5000	1.170	3	121.6526	8.130	24	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<2>,5|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]C)(N[6]C[6]H){2|H<1>,3|C<3>}	H(N[6]C[5a,6]C[6])	121.6120	0.000	1	120.5315	2.335	2	120.5000	1.170	3	121.6526	8.130	24	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(N[6]C[6]H){1|N<2>,3|N<3>}	H(N[6]C[5a,6]C[6])	120.4370	0.000	1	120.4370	0.000	1	120.5000	1.170	3	121.6526	8.130	24	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:2:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,3|H<1>}	H(N[6]C[5a,6]C[6])	116.6610	0.000	1	116.6610	0.000	1	119.4008	2.313	8	119.4008	2.313	8	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:2:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(N[6]C[5a,6]C[6])	121.3730	0.000	1	121.3730	0.000	1	119.4008	2.313	8	119.4008	2.313	8	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:2:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|H<1>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	H(N[6]C[5a,6]C[6])	120.3685	0.448	2	120.3685	0.200	2	119.4008	2.313	8	119.4008	2.313	8	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:2:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>,2|C<4>}	H(N[6]C[5a,6]C[6])	118.1580	0.000	1	118.9340	1.204	2	119.4008	2.313	8	119.4008	2.313	8	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:2:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[5a,6]C[6])	119.7100	0.000	1	118.9340	1.204	2	119.4008	2.313	8	119.4008	2.313	8	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:2:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]CC)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]CC)(H){1|N<2>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	H(N[6]C[5a,6]C[6])	119.2835	1.027	2	119.2835	1.056	2	119.4008	2.313	8	119.4008	2.313	8	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:2:	3:	C[5a,6]-3:C[6,6]-4:H-1:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[6,6]H)(N[5a]O[5a])	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[6,6]H)(N[5a]O[5a]){1|C<4>,1|N<3>,2|H<1>}	H(N[6]C[5a,6]C[6,6])	118.3250	0.000	1	118.3250	0.000	1	118.3250	0.000	1	118.3250	0.000	1	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6,6]-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H)	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]C)(H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H){2|C<3>,3|C<4>,3|H<1>}	H(N[6]C[5a,6]C[6,6])	113.5330	0.000	1	113.5330	0.000	1	113.0535	0.460	2	116.8588	14.154	9	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6,6]-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H)	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H){2|C<3>,2|C<4>,4|H<1>}	H(N[6]C[5a,6]C[6,6])	112.5740	0.000	1	112.5740	0.000	1	113.0535	0.460	2	116.8588	14.154	9	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|N<2>,6|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(N[6]C[5a,6]C[6])	124.2700	0.000	1	124.2700	0.000	1	117.5100	34.284	3	116.8588	14.154	9	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[5a,6]C[6])	114.2320	0.000	1	114.2320	0.000	1	117.5100	34.284	3	116.8588	14.154	9	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CC)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CC)(H){1|N<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	H(N[6]C[5a,6]C[6])	114.0280	0.000	1	114.0280	0.000	1	117.5100	34.284	3	116.8588	14.154	9	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	H(N[6]C[5a,6]C[6])	118.5787	1.558	3	118.5787	2.426	3	118.2730	1.991	4	116.8588	14.154	9	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,4|H<1>}	H(N[6]C[5a,6]C[6])	117.3560	0.000	1	117.3560	0.000	1	118.2730	1.991	4	116.8588	14.154	9	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	4:3:1:	3:3:2:	3:	C[6,6]-4:C[5a,6]-3:H-1:	N[5a,6]-3:N[6]-3:N[5a]-2:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a,6]N[5a])(H)	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a])	H(N[6]C[5a,6]C[6,6])	N[6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a,6]N[5a])(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(N[6]C[5a,6]C[6,6])	119.0810	0.000	1	121.0400	5.922	5	121.0400	5.922	5	121.0400	5.922	5	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP2_SP-NON_SP2	N[6]	C[5a,6]	H	4:3:1:	3:3:2:	3:	C[6,6]-4:C[5a,6]-3:H-1:	N[5a,6]-3:N[6]-3:N[5a]-2:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a,6]N[5a])(H)	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a])	H(N[6]C[5a,6]C[6,6])	N[6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a,6]N[5a])(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[6,6]N[5a])(N[6]C[6,6]H)(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(N[6]C[5a,6]C[6,6])	121.5298	2.509	4	121.0400	5.922	5	121.0400	5.922	5	121.0400	5.922	5	120.3504	7.832	106	120.3504	7.832	106
856	727	951	0:SP3_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6a]H)	H(N[6]C[5a,6]C[6,6a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6a]H){3|H<1>,4|C<3>}	H(N[6]C[5a,6]C[6,6a])	121.0320	0.000	1	121.0320	0.000	1	121.0320	0.000	1	116.4080	42.763	2	115.3778	31.293	29	115.3778	31.293	29
856	727	951	0:SP3_SP-NON_SP2	N[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(N[6]C[6,6a]H)	H(N[6]C[5a,6]C[6,6a])	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(N[6]C[6,6a]H){1|N<3>,2|H<1>,5|C<3>}	H(N[6]C[5a,6]C[6,6a])	111.7840	0.000	1	111.7840	0.000	1	111.7840	0.000	1	116.4080	42.763	2	115.3778	31.293	29	115.3778	31.293	29
856	727	951	0:SP3_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:2:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[5a,6]C[6])	133.1470	0.000	1	133.1470	0.000	1	133.1470	0.000	1	133.1470	0.000	1	115.3778	31.293	29	115.3778	31.293	29
856	727	951	0:SP3_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:2:	3:	C[5a,6]-3:C[6,6]-4:H-1:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[6,6]H)(N[5a]O[5a])	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[6,6]H)(N[5a]O[5a]){1|C<4>,1|N<3>,2|H<1>}	H(N[6]C[5a,6]C[6,6])	114.3360	0.000	1	114.3360	0.000	1	114.3360	0.000	1	114.3360	0.000	1	115.3778	31.293	29	115.3778	31.293	29
856	727	951	0:SP3_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6,6]-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H)	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]C)(H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H){2|C<3>,3|C<4>,3|H<1>}	H(N[6]C[5a,6]C[6,6])	115.0490	0.000	1	115.0490	0.000	1	115.5430	0.488	2	114.6263	20.849	25	115.3778	31.293	29	115.3778	31.293	29
856	727	951	0:SP3_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6,6]-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H)	H(N[6]C[5a,6]C[6,6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H){2|C<3>,2|C<4>,4|H<1>}	H(N[6]C[5a,6]C[6,6])	116.0370	0.000	1	116.0370	0.000	1	115.5430	0.488	2	114.6263	20.849	25	115.3778	31.293	29	115.3778	31.293	29
856	727	951	0:SP3_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H){1|C<4>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	H(N[6]C[5a,6]C[6])	109.6940	0.000	1	109.6940	0.000	1	109.7000	0.000	2	114.6263	20.849	25	115.3778	31.293	29	115.3778	31.293	29
856	727	951	0:SP3_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|H<1>,2|C<4>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[5a,6]C[6])	109.7060	0.000	1	109.7060	0.000	1	109.7000	0.000	2	114.6263	20.849	25	115.3778	31.293	29	115.3778	31.293	29
856	727	951	0:SP3_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	H(N[6]C[5a,6]C[6])	112.4380	0.718	5	115.3751	20.434	18	115.0082	22.330	21	114.6263	20.849	25	115.3778	31.293	29	115.3778	31.293	29
856	727	951	0:SP3_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	H(N[6]C[5a,6]C[6])	113.3387	0.904	3	115.3751	20.434	18	115.0082	22.330	21	114.6263	20.849	25	115.3778	31.293	29	115.3778	31.293	29
856	727	951	0:SP3_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|N<2>,2|C<4>,3|H<1>}	H(N[6]C[5a,6]C[6])	117.4546	5.216	10	115.3751	20.434	18	115.0082	22.330	21	114.6263	20.849	25	115.3778	31.293	29	115.3778	31.293	29
856	727	951	0:SP3_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>}	H(N[6]C[5a,6]C[6])	105.5900	0.000	1	112.8067	41.128	3	115.0082	22.330	21	114.6263	20.849	25	115.3778	31.293	29	115.3778	31.293	29
856	727	951	0:SP3_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>}	H(N[6]C[5a,6]C[6])	114.9770	0.000	1	112.8067	41.128	3	115.0082	22.330	21	114.6263	20.849	25	115.3778	31.293	29	115.3778	31.293	29
856	727	951	0:SP3_SP-NON_SP2	N[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H)	H(N[6]C[5a,6]C[6])	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]H){1|C<4>,1|N<2>,4|H<1>}	H(N[6]C[5a,6]C[6])	117.8530	0.000	1	112.8067	41.128	3	115.0082	22.330	21	114.6263	20.849	25	115.3778	31.293	29	115.3778	31.293	29
856	727	952	0:SP2_SP2_SP3	N[6]	C[5a,6]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[6,6a]-3:S-4:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(N[6]C[6,6a]S)	S(N[6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(O)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(N[6]C[6,6a]S){1|C<4>,1|H<1>,4|C<3>}	S(N[6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(O)2	116.4700	0.000	1	116.4700	0.000	1	116.4700	0.000	1	116.4700	0.000	1	119.7685	23.939	6	119.7685	23.939	6
856	727	952	0:SP2_SP2_SP3	N[6]	C[5a,6]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[6]-4:S-4:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(SC[6a]OO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6]S)	S(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(SC[6a]OO){1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6]S){2|C<4>,3|C<3>,3|H<1>}	S(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)2	118.4510	0.000	1	118.4510	0.000	1	121.1347	32.219	4	121.1347	32.219	4	119.7685	23.939	6	119.7685	23.939	6
856	727	952	0:SP2_SP2_SP3	N[6]	C[5a,6]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[6]-4:S-4:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S)	S(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO){1|Br<1>,1|C<4>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	S(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)2	125.7430	0.000	1	122.0293	43.527	3	121.1347	32.219	4	121.1347	32.219	4	119.7685	23.939	6	119.7685	23.939	6
856	727	952	0:SP2_SP2_SP3	N[6]	C[5a,6]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[6]-4:S-4:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S)	S(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO){1|Cl<1>,1|C<4>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	S(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)2	125.9330	0.000	1	122.0293	43.527	3	121.1347	32.219	4	121.1347	32.219	4	119.7685	23.939	6	119.7685	23.939	6
856	727	952	0:SP2_SP2_SP3	N[6]	C[5a,6]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[6]-4:S-4:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S)	S(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S){2|H<1>,5|C<3>}	S(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)2	114.4120	0.000	1	122.0293	43.527	3	121.1347	32.219	4	121.1347	32.219	4	119.7685	23.939	6	119.7685	23.939	6
856	727	952	0:SP2_SP2_SP3	N[6]	C[5a,6]	S	4:3:4:	3:3:3:	3:3:1:1:	B[5a,6]-4:C[5a,6]-3:S-4:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](B[5a,6]N[5a,6]O[5a]F)(C[5a,6]C[5a,6]N[5a])(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(N[6]B[5a,6]S)	S(N[6]B[5a,6]C[5a,6])(C[6a]C[6a]2)(O)2	N[6](B[5a,6]N[5a,6]O[5a]F)(C[5a,6]C[5a,6]N[5a])(SC[6a]OO){1|C<4>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(N[6]B[5a,6]S){1|F<1>,1|N<3>,1|O<2>,2|C<3>}	S(N[6]B[5a,6]C[5a,6])(C[6a]C[6a]2)(O)2	117.6020	0.000	1	117.6020	0.000	1	117.6020	0.000	1	117.6020	0.000	1	119.7685	23.939	6	119.7685	23.939	6
856	727	952	0:SP3_SP2_SP3	N[6]	C[5a,6]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[5,6]-4:S-4:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[5,6]S)	S(N[6]C[5a,6]C[5,6])(C[6a]C[6a]2)(O)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[5,6]S){2|C<4>,3|C<3>,3|H<1>}	S(N[6]C[5a,6]C[5,6])(C[6a]C[6a]2)(O)2	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1	119.6695	2.931	2	119.6695	2.931	2	119.6695	2.931	2
856	727	952	0:SP3_SP2_SP3	N[6]	C[5a,6]	S	3:4:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:C[6]-4:S-4:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:O-1:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(N[6]C[6]S)	S(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(N[6]C[6]S){1|C<4>,2|H<1>,3|C<3>}	S(N[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)2	118.4590	0.000	1	118.4590	0.000	1	118.4590	0.000	1	119.6695	2.931	2	119.6695	2.931	2	119.6695	2.931	2
856	727	961	6:SP2_SP2_SP3	N[6]	C[5a,6]	S[6]	3:4:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:S[6]-4:C-4:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(N[6]S[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(N[6]S[6]C){1|C<4>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,4|C<3>}	111.0870	1.200	6	111.0870	1.440	6	111.0870	1.440	6	111.0870	1.440	6	111.0870	1.440	6	111.0870	1.440	6
856	727	961	6:SP3_SP2_SP3	N[6]	C[5a,6]	S[6]	3:4:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:S[6]-4:C-4:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3){1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C){1|H<1>,2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,4|C<3>}	110.2640	0.000	1	110.2640	0.000	1	110.8686	0.850	5	112.0594	6.820	7	112.0594	6.820	7	112.0594	6.820	7
856	727	961	6:SP3_SP2_SP3	N[6]	C[5a,6]	S[6]	3:4:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:S[6]-4:C-4:	C[5a,6]-3:C[5a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(N[6]S[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	N[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C)(N[6]S[6]C){1|C<4>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,4|C<3>}	111.0198	0.990	4	111.0198	0.981	4	110.8686	0.850	5	112.0594	6.820	7	112.0594	6.820	7	112.0594	6.820	7
856	727	961	6:SP3_SP2_SP3	N[6]	C[5a,6]	S[6]	3:4:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:S[6]-4:C-4:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3)	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	N[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3){2|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C){2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,1|N<3>,3|C<3>}	112.5160	0.000	1	112.5160	0.000	1	115.0365	12.706	2	112.0594	6.820	7	112.0594	6.820	7	112.0594	6.820	7
856	727	961	6:SP3_SP2_SP3	N[6]	C[5a,6]	S[6]	3:4:4:	3:3:3:	3:3:1:1:	C[5a,6]-3:S[6]-4:C-4:	N[5a,6]-3:C[5a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	N[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3)	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]N[5a]H)(N[6]S[6]C)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2	N[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a]OO)(CH3){1|H<1>,2|C<3>,2|N<2>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]N[5a]H)(N[6]S[6]C){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)2{1|H<1>,1|N<3>,3|C<3>}	117.5570	0.000	1	117.5570	0.000	1	115.0365	12.706	2	112.0594	6.820	7	112.0594	6.820	7	112.0594	6.820	7
856	730	762	0:SP2_SP2_SP3	N[6]	As	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:As-3:	N[6]-3:N[6]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(AsN[6]2)	As(N[6]C[6]2)3	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(AsN[6]2){1|C<3>,2|H<1>}	As(N[6]C[6]2)3	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.7382	5.265	6	120.7382	27.718	6	120.7382	27.718	6	120.7382	27.718	6	120.7382	27.718	6	120.7382	27.718	6
856	746	951	0:SP2_SP-NON_SPD5	N[6]	P[6,6]	H	4:5:1:	2:2:3:3:1:	3:	C[6]-4:P[6,6]-5:H-1:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H)	H(N[6]P[6,6]C[6])	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H){2|H<1>,6|C<3>}	H(N[6]P[6,6]C[6])	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1
856	746	951	0:SP3_SP-NON_SPD5	N[6]	P[6,6]	H	4:5:1:	2:2:3:3:1:	3:	C[6]-4:P[6,6]-5:H-1:	O[6]-2:O[6]-2:N[6]-3:N[6]-3:H-1:	N[6]-3:	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H)	H(N[6]P[6,6]C[6])	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	P[6,6](O[6]C[6,6a])2(N[6]C[6]H)2(H){2|H<1>,6|C<3>}	H(N[6]P[6,6]C[6])	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.9730	0.000	1	120.9730	0.000	1	120.9730	0.000	1	120.9730	0.000	1	120.9730	0.000	1	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[5a,6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-2:H-1:	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]H)(C[6]N[6]H)	C[6](N[6,6]C[5a,6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6,6]C[5a,6,6]C[6])(N[6]C[6])(H)	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6,6]C[5a,6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](N[6,6]C[5a,6,6]C[6])(N[6]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	128.7040	0.000	1	128.7040	0.000	1	128.7040	0.000	1	128.7040	0.000	1	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.1990	0.000	1	123.1990	0.000	1	123.1990	0.000	1	119.3638	4.214	6	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.2830	0.000	1	119.2830	0.000	1	119.2830	0.000	1	119.3638	4.214	6	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:O-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cu<5>,1|C<4>,1|H<1>,1|O<3>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.0620	0.000	1	118.4253	0.944	4	118.4253	0.944	4	119.3638	4.214	6	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:O-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.3190	0.000	1	118.4253	0.944	4	118.4253	0.944	4	119.3638	4.214	6	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:O-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ni<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.1600	0.629	2	118.4253	0.944	4	118.4253	0.944	4	119.3638	4.214	6	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:1:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|H<1>,2|C<3>,2|C<4>}	122.6150	0.000	1	122.6150	0.000	1	122.6150	0.000	1	122.6150	0.000	1	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6,6,6a]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C-3:	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI){1|H<1>,3|C<3>}	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.2500	0.000	1	119.2500	0.000	1	119.0960	0.040	3	119.0960	0.040	3	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.0190	0.212	2	119.0190	0.045	2	119.0960	0.040	3	119.0960	0.040	3	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	3:3:3:	3:4:2:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-4:N-2:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5]N[6]H)(NC[6a])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5]N[6]H)(NC[6a]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	120.1620	0.000	1	120.1620	0.000	1	120.1620	0.000	1	120.1620	0.000	1	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:N[6,6]-3:C[6]-3:	C[5,6]-4:N[6,6]-3:O-1:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O){2|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.0270	0.000	1	122.0270	0.000	1	122.0270	0.000	1	122.0270	0.000	1	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:3:	C[6,6]-4:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:S-1:	N[6,6]-3:N[6]-2:N-3:	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]N[6]N)(C[6]N[6]S)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(S)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a])(NCH)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]N[6]N)(C[6]N[6]S){1|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(S){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a])(NCH){1|H<1>,1|N<3>,1|S<1>,3|C<3>}	118.2740	0.000	1	118.2740	0.000	1	118.2740	0.000	1	118.2740	0.000	1	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]F)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]F)(O){2|C<3>,2|C<4>,2|H<1>}	118.0620	0.000	1	118.0620	0.000	1	118.0620	0.000	1	118.0345	0.002	2	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:O-1:	N[6,6]-3:N[6]-3:O-1:	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(O)	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(O){1|O<1>,2|C<4>,3|C<3>}	118.0070	0.000	1	118.0070	0.000	1	118.0070	0.000	1	118.0345	0.002	2	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(O)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	120.5250	0.000	1	120.5250	0.000	1	120.5250	0.000	1	120.5250	0.000	1	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.4610	0.000	1	122.4610	0.000	1	122.4795	0.001	2	122.1830	0.264	3	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]C)(COO)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]C)(COO){1|N<3>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	122.4980	0.000	1	122.4980	0.000	1	122.4795	0.001	2	122.1830	0.264	3	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6,6]	C[6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	N[6,6]-3:C[6a]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	121.5900	0.000	1	121.5900	0.000	1	121.5900	0.000	1	122.1830	0.264	3	120.4934	6.866	21	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:N[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ir)(C[6]N[6]H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ir)(N[6]C[6]2)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ir<6>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ir)(C[6]N[6]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ir)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	121.8600	0.000	1	121.8600	0.000	1	121.3992	0.099	4	121.3992	0.099	4	121.3992	0.099	4	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:N[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>,3|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	121.3440	0.000	1	121.3440	0.000	1	121.3992	0.099	4	121.3992	0.099	4	121.3992	0.099	4	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:N[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]N[6]H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]N[6]H){1|C<3>,1|C<4>,2|H<1>,3|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	121.1850	0.000	1	121.1850	0.000	1	121.3992	0.099	4	121.3992	0.099	4	121.3992	0.099	4	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:N[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]2)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ru<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	121.2080	0.000	1	121.2080	0.000	1	121.3992	0.099	4	121.3992	0.099	4	121.3992	0.099	4	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6,6a]O)2(C[6]C[6]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6](C[6]C[6]H)2(N[6]C[6]2)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	117.6225	0.047	2	117.6225	0.002	2	117.6225	0.002	2	117.6997	0.118	4	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]C)(N[6]C[6]2)(O)	C[6](C[6]C[6]H)2(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]O)2{1|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]2)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|H<1>,2|O<1>,3|C<3>}	118.1810	0.000	1	118.1810	0.000	1	117.7770	0.326	2	117.6997	0.118	4	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]H)(N[6]C[6]2)(O)	C[6](C[6]C[6]H)2(N[6]C[6]2)	N[6](C[6]C[6]2)(C[6]C[6]O)2{1|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|H<1>,2|O<1>,3|C<3>}	117.3730	0.000	1	117.3730	0.000	1	117.7770	0.326	2	117.6997	0.118	4	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-2:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6]2)(C[6]C[6])	C[6](N[6]C[6]2)(N[6]C[6])(O)	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O){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](N[6]C[6]2)(N[6]C[6])(O){1|C<2>,1|C<4>,3|C<3>}	117.4390	0.000	1	117.4390	0.000	1	117.4390	0.000	1	117.4390	0.000	1	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-2:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]2)(CHH)	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O){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)(N[6]C[6]2)(CHH){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|O<1>}	120.8670	0.000	1	120.8670	0.000	1	120.8670	0.000	1	120.8670	0.000	1	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2){1|B<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	116.9729	0.564	14	116.9908	0.279	16	116.9908	0.279	16	119.1893	12.603	32	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	117.1160	0.132	2	116.9908	0.279	16	116.9908	0.279	16	119.1893	12.603	32	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]C)(N[6]C[6]2)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	119.3950	0.000	1	119.3950	0.000	1	119.4010	0.635	8	119.1893	12.603	32	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	118.0890	0.000	1	118.0890	0.000	1	119.4010	0.635	8	119.1893	12.603	32	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,4|C<3>}	119.7635	0.839	4	119.7635	0.704	4	119.4010	0.635	8	119.1893	12.603	32	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]O)2(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]O)2(N[6]C[6]2){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	119.3350	0.279	2	119.3350	0.078	2	119.4010	0.635	8	119.1893	12.603	32	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cd<5>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.2090	0.000	1	117.9250	1.025	2	117.6140	0.803	3	119.1893	12.603	32	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cd<6>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.6410	0.000	1	117.9250	1.025	2	117.6140	0.803	3	119.1893	12.603	32	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cu<5>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(N[6]C[6]2){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	116.9920	0.000	1	116.9920	0.000	1	117.6140	0.803	3	119.1893	12.603	32	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:N[6]-3:C[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]N[6]O)	C[6](N[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O)	N[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O){1|Fe<6>,1|N<3>,2|C<3>}	126.6813	1.240	3	126.6813	1.537	3	126.8310	0.834	5	119.1893	12.603	32	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:N[6]-3:C[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]N[6]O)	C[6](N[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O)	N[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O){1|Pd<4>,1|N<3>,2|C<3>}	127.0555	0.308	2	127.0555	0.095	2	126.8310	0.834	5	119.1893	12.603	32	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]2)(OCd)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cd<5>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(OCd){1|N<3>,2|C<3>,2|H<1>}	121.0730	0.000	1	119.4955	4.977	2	120.1603	3.815	3	120.1603	3.815	3	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]2)(OCd)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cd<6>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(OCd){1|N<3>,2|C<3>,2|H<1>}	117.9180	0.000	1	119.4955	4.977	2	120.1603	3.815	3	120.1603	3.815	3	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]2)(OCu)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cu<5>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(N[6]C[6]2){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(OCu){1|N<3>,2|C<3>,2|H<1>}	121.4900	0.000	1	121.4900	0.000	1	120.1603	3.815	3	120.1603	3.815	3	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])2(C[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]H)2(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(C[6]C[6]2){4|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]2){2|H<1>,7|C<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){7|C<3>}	119.8704	1.007	20	119.8704	1.014	20	119.8704	1.014	20	119.8704	1.014	20	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:2:2:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N[6]-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]HH)(C[6]C[6]H)(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6])2	C[6](C[6]O[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(C[6]N[6]2){1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6]2)(N[6]C[6])2{1|C<3>,1|C<4>,3|H<1>,3|N<3>}	C[6](C[6]O[6]H)(N[6]C[6]2)(H){1|C<4>,2|H<1>,2|N<2>}	122.7510	0.000	1	122.7510	0.000	1	122.7510	0.000	1	122.7510	0.000	1	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:4:3:	3:3:3:	Si[6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-3:C-3:	N[6](Si[6]N[6]BrLiN)(C[6]C[6]2)(C[6]C[6]C)	C[6](N[6]Si[6]C[6])(C[6]C[6]LiC)(C[6]C[6]C)	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]BrLiN)(C[6]C[6]2)(C[6]C[6]C){1|Li<5>,1|H<1>,2|C<4>,4|C<3>}	C[6](N[6]Si[6]C[6])(C[6]C[6]LiC)(C[6]C[6]C){1|Br<2>,1|Li<5>,1|N<3>,1|N<4>,2|H<1>,3|C<3>}	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(CHH){1|Br<2>,1|Li<5>,1|C<3>,1|N<3>,1|N<4>,2|C<4>}	118.7970	0.000	1	118.7970	0.000	1	118.7970	0.000	1	118.7970	0.000	1	119.4063	7.333	63	119.7700	7.087	89
856	762	762	0:SP3_SP2_SP2	N[6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:N[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>,3|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	119.5790	0.000	1	119.5790	0.000	1	120.7490	1.977	4	120.7490	1.977	4	120.7490	1.977	4	120.0910	3.647	5
856	762	762	0:SP3_SP2_SP2	N[6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:N[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]N[6]H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]N[6]H){1|C<3>,1|C<4>,2|H<1>,3|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Re)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	119.6290	0.000	1	119.6290	0.000	1	120.7490	1.977	4	120.7490	1.977	4	120.7490	1.977	4	120.0910	3.647	5
856	762	762	0:SP3_SP2_SP2	N[6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:N[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]2)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ru<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	121.3090	0.000	1	121.8940	0.684	2	120.7490	1.977	4	120.7490	1.977	4	120.7490	1.977	4	120.0910	3.647	5
856	762	762	0:SP3_SP2_SP2	N[6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:N[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:N[6]-3:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]2)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ru<6>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|Cl<1>,1|C<4>,1|N<2>,2|N<3>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	122.4790	0.000	1	121.8940	0.684	2	120.7490	1.977	4	120.7490	1.977	4	120.7490	1.977	4	120.0910	3.647	5
856	762	762	0:SP3_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:2:3:	3:2:2:	S[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-2:C[6]-3:	N[6]-3:C[6]-2:C[6]-2:	N[6](S[6]C[6,6]OO)(C[6]C[6]2)2	C[6](N[6]C[6]S[6])(C[6]C[6,6])(C[6]C[6]2)	C[6](N[6]C[6]S[6])(C[6]C[6])2	N[6](S[6]C[6,6]OO)(C[6]C[6]2)2{1|C<3>,5|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](N[6]C[6]S[6])(C[6]C[6])2{1|C<2>,2|O<1>,3|C<3>}	117.4590	0.000	1	117.4590	0.000	1	117.4590	0.000	1	117.4590	0.000	1	117.4590	0.000	1	120.0910	3.647	5
856	762	762	6:SP2_SP2_SP2	N[3x6]	C[3x6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[3x6]-3:As[3x6]-3:C[6]-3:	N[3x6]-3:P[3x6]-3:C[6]-3:	N[3x6]-3:C[6]-3:H-1:	N[3x6](C[3x6]P[3x6]C[6])(As[3x6]N[3x6]2)(C[6]C[6]H)	C[3x6](N[3x6]As[3x6]C[6])(P[3x6]C[3x6]2)(C[6]C[6]H)	C[6](N[3x6]As[3x6]C[3x6])(C[6]C[6]H)(H)	N[3x6](C[3x6]P[3x6]C[6])(As[3x6]N[3x6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	C[3x6](N[3x6]As[3x6]C[6])(P[3x6]C[3x6]2)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	C[6](N[3x6]As[3x6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>,2|N<3>}	121.6360	0.413	3	121.6360	0.170	3	121.6360	0.170	3	121.6360	0.170	3	119.8362	2.348	9	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[3x6]	C[3x6]	C[6]	3:3:3:	4:3:3:	3:3:3:	Ge[3x6]-3:C[3x6]-3:C[6]-3:	C[3x6]-4:N[3x6]-3:C[6]-3:	N[3x6]-3:C[6]-3:C-3:	N[3x6](Ge[3x6]C[4,6,6]N[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]C)	C[3x6](C[3x6]Ge[4,6,6]P[6,6]H)(N[3x6]Ge[3x6]C[6])(C[6]C[6]H)	C[6](N[3x6]Ge[3x6]C[3x6])(C[6]C[6]H)(CHP)	N[3x6](Ge[3x6]C[4,6,6]N[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]C){1|Ge<3>,1|Si<4>,2|C<3>,2|P<4>,3|H<1>}	C[3x6](C[3x6]Ge[4,6,6]P[6,6]H)(N[3x6]Ge[3x6]C[6])(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	C[6](N[3x6]Ge[3x6]C[3x6])(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.5370	0.000	1	120.5370	0.000	1	120.5370	0.000	1	120.5370	0.000	1	119.8362	2.348	9	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[3x6]	C[3x6]	C[6]	5:3:3:	3:4:3:	3:3:1:	Nb[3x6]-5:C[3x6]-3:C[6]-3:	N[3x6]-3:C[3x6]-4:C[6]-3:	N[3x6]-3:C[6]-3:H-1:	N[3x6](Nb[3x6]N[6,6]2NO)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H)	N[3x6](Nb[3x6]N[6,6]2NO)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|Si<4>,1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|C<3>,1|N<2>,1|O<2>,2|N<3>,6|H<1>}	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	119.8362	2.348	9	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[3x6]	C[3x6]	C[6]	6:3:3:	3:4:3:	3:3:1:	Nb[3x6]-6:C[3x6]-3:C[6]-3:	N[3x6]-3:C[3x6]-4:C[6]-3:	N[3x6]-3:C[6]-3:H-1:	N[3x6](Nb[3x6]N[6,6]2N[6]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H)	N[3x6](Nb[3x6]N[6,6]2N[6]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H){2|Si<4>,2|H<1>,3|C<3>,3|C<4>}	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|N<2>,3|N<3>,6|H<1>}	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,3|N<3>}	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	119.8362	2.348	9	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[3x6]	C[3x6]	C[6]	7:3:3:	3:4:3:	3:3:1:	Nb[3,3,3x6]-7:C[3x6]-3:C[6]-3:	N[3x6]-3:C[3x6]-4:C[6]-3:	N[3x6]-3:C[6]-3:H-1:	N[3x6](Nb[3,3,3x6]N[3,6,6]C[3,3]N[6,6]N[3]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](N[3x6]Nb[3,3,3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[6](N[3x6]Nb[3,3,3x6]C[3x6])(C[6]C[6]H)(H)	N[3x6](Nb[3,3,3x6]N[3,6,6]C[3,3]N[6,6]N[3]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](N[3x6]Nb[3,3,3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,3|N<3>,6|H<1>}	C[6](N[3x6]Nb[3,3,3x6]C[3x6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,2|C<4>,3|N<3>}	118.4803	0.555	3	118.4803	0.308	3	118.4803	0.308	3	118.4803	0.308	3	119.8362	2.348	9	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[3x6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:P[6,6]-3:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6,6a]-3:N[3x6]-3:C[6]-3:	N[3x6](C[6,6]C[6,6a]C[6])2(P[6,6]O[6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6]P[6,6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6]P[6,6])(C[6]C[6]H)	N[3x6](C[6,6]C[6,6a]C[6])2(P[6,6]O[6]2){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6]P[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6]P[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,4|C<3>}	123.5000	0.000	1	123.5000	0.000	1	123.5000	0.000	1	123.5000	0.000	1	121.5424	4.031	12	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[3x6]	C[6,6]	C[6,6]	3:3:4:	3:3:2:	3:3:2:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	N[3x6]-3:C[6]-3:N[6]-2:	N[3x6]-3:C[6]-3:N[6]-2:	N[3x6](C[6,6]C[6]N[6])2(B[6,6]O[6]2F)	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	N[3x6](C[6,6]C[6]N[6])2(B[6,6]O[6]2F){2|H<1>,3|C<3>}	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	122.4920	0.116	2	122.4920	0.013	2	122.4920	0.013	2	122.4920	0.013	2	121.5424	4.031	12	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[3x6]	C[6,6]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6,6a]-3:N[3x6]-3:C[6]-3:	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]C[6a]O[6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]C[6a]O[6]2){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,5|C<3>}	121.7258	0.291	5	121.7258	0.084	5	121.7180	0.068	6	121.7180	0.068	6	121.5424	4.031	12	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[3x6]	C[6,6]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6,6a]-3:N[3x6]-3:C[6]-3:	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]O[6]2O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	N[3x6](C[6,6]C[6,6a]C[6])2(B[6,6]O[6]2O){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){1|H<1>,3|O<2>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){1|H<1>,3|O<2>,5|C<3>}	121.6790	0.000	1	121.6790	0.000	1	121.7180	0.068	6	121.7180	0.068	6	121.5424	4.031	12	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[3x6]	C[6,6]	C[6,6]	3:3:4:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C[6,6]-4:	N[3x6]-3:N[6]-4:C[6]-3:	N[3x6]-3:N[6]-4:C[6]-3:	N[3x6](C[6,6]C[6]N[6])2(C[6,6]C[6]2H)	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H)	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H)	N[3x6](C[6,6]C[6]N[6])2(C[6,6]C[6]2H){1|C<3>,6|C<4>,6|H<1>}	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|N<3>,1|N<4>,2|C<4>,3|H<1>}	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|N<3>,1|N<4>,2|C<4>,3|H<1>}	115.4580	0.000	1	115.4580	0.000	1	115.4580	0.000	1	115.4580	0.000	1	121.5424	4.031	12	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[3x6]	C[6,6]	C[6,6]	4:3:3:	3:3:2:	3:3:2:	B[6,6]-4:C[6,6]-3:C[6,6]-3:	N[3x6]-3:C[6]-3:N[6]-2:	N[3x6]-3:C[6]-3:N[6]-2:	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2{4|H<1>,5|C<3>}	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	121.6530	0.000	1	122.1295	0.454	2	122.1295	0.454	2	122.1295	0.454	2	121.5424	4.031	12	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[3x6]	C[6,6]	C[6,6]	4:3:3:	3:3:2:	3:3:2:	B[6,6]-4:C[6,6]-3:C[6,6]-3:	N[3x6]-3:C[6]-3:N[6]-2:	N[3x6]-3:C[6]-3:N[6]-2:	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2{4|H<1>,5|C<3>}	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	122.6060	0.000	1	122.1295	0.454	2	122.1295	0.454	2	122.1295	0.454	2	121.5424	4.031	12	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[3x6]	C[6]	3:4:3:	3:3:3:	3:2:1:	C[3x6]-3:C[6]-4:C[6]-3:	N[6,6]-3:N[6,6]-3:N[6,6]-3:	N[6,6]-3:O[6]-2:O-1:	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)(C[6]O[6]O)	C[3x6](N[6,6]Si[6]C[6])(N[6,6]C[6]2)2	C[6](N[6,6]C[3x6]C[6])(O[6]Si[6])(O)	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)(C[6]O[6]O){1|Si<4>,2|H<1>,3|C<4>}	C[3x6](N[6,6]Si[6]C[6])(N[6,6]C[6]2)2{1|O<1>,1|O<2>,4|C<4>,8|H<1>}	C[6](N[6,6]C[3x6]C[6])(O[6]Si[6])(O){2|H<1>,2|N<3>,3|C<4>}	124.8610	0.000	1	124.8610	0.000	1	124.8610	0.000	1	124.8610	0.000	1	124.8610	0.000	1	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H)	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H){2|H<1>,3|C<3>}	119.5070	0.000	1	119.5070	0.000	1	119.5070	0.000	1	119.5070	0.000	1	120.2564	4.982	10	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6,6]-3:	N[6,6]-3:C[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6]){1|C<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	116.9170	0.000	2	116.9170	0.000	2	116.9170	0.000	2	116.9170	0.000	2	120.2564	4.982	10	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6,6]	3:3:3:	4:3:1:	3:4:1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[4,6,6]-4:N[6,6]-3:O-1:	N[6,6]-3:C[4,6,6]-4:O-1:	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	C[6,6](C[4,6,6]C[4,6]2C[6a])(N[6,6]C[6,6]C[6a])(O)	C[6,6](N[6,6]C[6,6]C[6a])(C[4,6,6]C[4,6]2C)(O)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[4,6,6]C[4,6]2C[6a])(N[6,6]C[6,6]C[6a])(O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(C[4,6,6]C[4,6]2C)(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	120.9510	0.000	1	120.9510	0.000	1	120.9510	0.000	1	120.9510	0.000	1	120.2564	4.982	10	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6,6]	3:3:3:	4:3:1:	4:3:1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[4,6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	C[6,6](C[4,6,6]C[4,6]O[4,6]C[6a])(N[6,6]C[6,6]C[6a])(O)	C[6,6](C[4,6,6]C[4,6]O[4,6]C)(N[6,6]C[6,6]C[6a])(O)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[4,6,6]C[4,6]O[4,6]C[6a])(N[6,6]C[6,6]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[4,6,6]C[4,6]O[4,6]C)(N[6,6]C[6,6]C[6a])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9440	0.494	3	119.9440	0.244	3	119.9440	0.244	3	121.2600	3.377	5	120.2564	4.982	10	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6,6]	3:3:3:	4:3:1:	4:3:1:	C[6,6]-3:C[6,6]-3:N[5]-3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[4,6,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[4,6,6]O)2(N[5]C[5]2)	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]N[5])(O)	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]N[5])(O)	N[6,6](C[6,6]C[4,6,6]O)2(N[5]C[5]2){2|C<3>,2|O<1>,4|C<4>}	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]N[5])(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]N[5])(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	123.2340	0.174	2	123.2340	0.030	2	123.2340	0.030	2	121.2600	3.377	5	120.2564	4.982	10	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6,6]	3:3:4:	4:3:1:	4:3:1:	C[6,6]-3:C[6,6]-3:C-4:	C[4,3x6]-4:N[6,6]-3:O-1:	C[4,3x6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[4,3x6]O)2(CCHH)	C[6,6](C[4,3x6]C[4,6,6]2C[6,6a])(N[6,6]C[6,6]C)(O)	C[6,6](C[4,3x6]C[4,6,6]2C[6,6a])(N[6,6]C[6,6]C)(O)	N[6,6](C[6,6]C[4,3x6]O)2(CCHH){2|C<3>,2|C<4>}	C[6,6](C[4,3x6]C[4,6,6]2C[6,6a])(N[6,6]C[6,6]C)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[4,3x6]C[4,6,6]2C[6,6a])(N[6,6]C[6,6]C)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.9720	0.000	1	121.9720	0.000	1	121.9720	0.000	1	121.9720	0.000	1	120.2564	4.982	10	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6]-3:Ge[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]Cl)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]Cl)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.0160	0.395	2	120.0160	0.156	2	119.8753	0.137	3	119.8753	0.137	3	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6]-3:Ge[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]N)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]N)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	119.5940	0.000	1	119.5940	0.000	1	119.8753	0.137	3	119.8753	0.137	3	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:S[6]-2:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]S[6])(C[6]C[6]H)	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]H)(S[6]C[6])	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]S[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]H)(S[6]C[6]){2|H<1>,4|C<3>}	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	119.8580	0.000	1	119.8580	0.000	1	119.8580	0.000	1	120.7540	1.606	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:N[6]-2:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N)	C[6,6](N[6,6]C[6]2)(C[6]C[6]Cl)(N[6]N[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]Cl)(N[6]N[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	121.6500	0.000	1	121.6500	0.000	1	121.6500	0.000	1	120.7540	1.606	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[5a,6a]C[6,6a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[5a,6a]C[6,6a])(N[6,6]C[6]2)(C[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.6670	0.000	1	119.6670	0.000	1	119.6670	0.000	1	120.2464	0.702	15	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.3630	0.000	1	118.3630	0.000	1	118.9945	0.798	2	120.2464	0.702	15	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H){2|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.6260	0.000	1	119.6260	0.000	1	118.9945	0.798	2	120.2464	0.702	15	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cu<5>,1|C<4>,1|H<1>,1|O<3>,2|C<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.7320	0.000	1	120.7320	0.000	1	120.7744	0.425	5	120.2464	0.702	15	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mn)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mn)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.8150	0.000	1	121.8150	0.000	1	120.7744	0.425	5	120.2464	0.702	15	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ni<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.5600	0.447	2	120.5600	0.200	2	120.7744	0.425	5	120.2464	0.702	15	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.2050	0.000	1	120.2050	0.000	1	120.7744	0.425	5	120.2464	0.702	15	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cu<5>,1|C<4>,1|H<1>,1|O<3>,2|C<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.2060	0.000	1	121.2060	0.000	1	120.6130	0.180	5	120.2464	0.702	15	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mn)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mn)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.8650	0.000	1	120.8650	0.000	1	120.6130	0.180	5	120.2464	0.702	15	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ni<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.2625	0.197	2	120.2625	0.039	2	120.6130	0.180	5	120.2464	0.702	15	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:O-1:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.4690	0.000	1	120.4690	0.000	1	120.6130	0.180	5	120.2464	0.702	15	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){1|F<1>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.7840	0.000	1	119.7840	0.000	1	119.7840	0.000	1	120.2464	0.702	15	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,3|C<3>,4|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.3190	0.000	1	119.3190	0.000	1	119.3190	0.000	1	120.2464	0.702	15	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:N[6,6]-3:C[6a]-3:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[5a,6a]C[6,6a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[5a,6a]C[6,6a])(N[6,6]C[6]2)(C[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	120.9800	0.000	1	120.9800	0.000	1	120.9800	0.000	1	121.6895	1.007	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6a]-3:	N[6,6](C[6,6a]C[6,6a,6a]O[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6,6a]C[6a])	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	N[6,6](C[6,6a]C[6,6a,6a]O[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]){9|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,8|C<3>}	122.3990	0.000	1	122.3990	0.000	1	122.3990	0.000	1	121.6895	1.007	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.4770	0.000	1	119.4770	0.000	1	119.4770	0.000	1	118.5415	1.750	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	O[6,6]-3:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]O[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]O[6,6])(C[6]C[6]H)(H)	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](N[6,6]O[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]O[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	117.6060	0.000	1	117.6060	0.000	1	117.6060	0.000	1	118.5415	1.750	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H)	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	120.6040	0.000	1	120.4210	0.067	2	120.4210	0.067	2	120.4210	0.067	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H)	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	120.2380	0.000	1	120.4210	0.067	2	120.4210	0.067	2	120.4210	0.067	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:4:	3:3:2:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[3,6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[3,6]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6])	C[6](C[3,6]C[6,6a]C[3]2)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[3,6]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[3,6]C[6,6a]C[3]2)(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	124.7060	0.000	1	124.7060	0.000	1	124.7060	0.000	1	124.7060	0.000	1	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:B[6]-4:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[6,6]C[6]2)(C[6]N[6,6]H)(B[6]O[6]FF)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])2(H)	N[6,6](C[6,6]C[6]2)(C[6]N[6,6]H)(B[6]O[6]FF){1|B<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[6](N[6,6]C[6,6]B[6])2(H){2|O<2>,3|C<3>,4|F<1>}	119.3120	0.000	1	119.3120	0.000	1	119.3120	0.000	1	122.4871	1.176	14	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[5,6]-3:N[6]-3:N[6,6]-3:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](C[5,6]C[5,6]N[5])(N[6]C[6,6a]Pt)(N[6,6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|Pt<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]N[5])(N[6]C[6,6a]Pt)(N[6,6]C[6]2){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.8790	0.000	1	123.8790	0.000	1	123.8790	0.000	1	122.4871	1.176	14	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[5a,6]-3:N[6]-3:N[6,6]-3:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]C)(N[6,6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]C)(N[6,6]C[6]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.3670	0.216	3	123.3670	0.047	3	123.3670	0.047	3	122.4871	1.176	14	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N[6,6]-3:	C[6,6a]-3:N[6,6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(N[6,6]C[6]2){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	122.3920	0.310	9	122.3920	0.096	9	122.3920	0.096	9	122.4871	1.176	14	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:2:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6]-3:C[6]-3:Cl-1:	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(Cl)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl){2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	118.3670	0.000	1	118.3670	0.000	1	118.3670	0.000	1	120.0497	0.857	11	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:2:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	119.6164	0.269	5	119.6164	0.072	5	120.0928	0.506	9	120.0497	0.857	11	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:2:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	119.9190	0.000	1	119.9190	0.000	1	120.0928	0.506	9	120.0497	0.857	11	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:2:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]O)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){1|H<1>,1|O<2>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]O){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	121.1300	0.458	2	121.1300	0.210	2	120.0928	0.506	9	120.0497	0.857	11	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:2:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	120.5740	0.000	1	120.5740	0.000	1	120.0928	0.506	9	120.0497	0.857	11	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:2:3:	3:3:1:	C[6,6]-3:S[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a]OO)(C[6]C[6]H)	C[6,6](N[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a]OO)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	121.3450	0.000	1	121.3450	0.000	1	121.3450	0.000	1	120.0497	0.857	11	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:2:4:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-4:	N[6,6]-3:C[6]-4:N-2:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N)	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(NC[6a])	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(NC[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	123.8470	0.000	1	123.8470	0.000	1	123.8470	0.000	1	123.8470	0.000	1	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]N[6])(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(N[6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]N[6])(B[6]O[6]FF)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(N[6]C[6]){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|F<1>}	120.8695	0.276	2	120.8695	0.076	2	120.8695	0.076	2	120.5246	0.160	7	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:N[6]-2:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	120.3866	0.372	5	120.3866	0.138	5	120.3866	0.138	5	120.5246	0.160	7	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:S[6]-2:	N[6,6]-3:C[6]-3:N-3:	N[6,6](C[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH)	N[6,6](C[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]N)(S[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	120.0940	0.000	1	120.0940	0.000	1	120.0940	0.000	1	120.0940	0.000	1	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6]-3:C[6]-3:C-4:	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(CHHN)	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]){2|C<4>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(CHHN){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.1030	0.000	1	122.1030	0.000	1	122.1030	0.000	1	122.1030	0.000	1	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:2:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|F<1>}	119.2865	0.164	4	119.2865	0.027	4	118.9727	0.233	7	119.3064	1.090	8	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:2:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|F<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|F<1>}	118.8480	0.000	1	118.5543	0.198	3	118.9727	0.233	7	119.3064	1.090	8	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:2:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	118.0420	0.000	1	118.5543	0.198	3	118.9727	0.233	7	119.3064	1.090	8	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:2:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,2|F<1>,2|O<2>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){2|C<3>,2|F<1>,2|O<2>}	118.7730	0.000	1	118.5543	0.198	3	118.9727	0.233	7	119.3064	1.090	8	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:N[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6])(H)	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6])(H){1|C<3>,1|O<2>,2|C<4>,2|N<3>}	121.6420	0.000	1	121.6420	0.000	1	121.6420	0.000	1	119.3064	1.090	8	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	119.7240	0.000	1	119.7240	0.000	1	119.7240	0.000	1	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6,6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]N[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]C[6,6]B[6])(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]N[6,6]H){1|B<4>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]C[6,6]B[6])(H){1|B<4>,1|C<4>,6|C<3>}	117.8367	1.755	4	117.8367	3.080	4	117.8367	3.080	4	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){2|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	120.0640	0.000	1	120.0640	0.000	1	120.0543	1.171	13	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|F<1>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	120.5110	0.000	1	120.5110	0.000	1	120.0543	1.171	13	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|I<1>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|I<1>}	119.8750	0.000	1	119.8750	0.000	1	120.0543	1.171	13	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){4|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	119.1740	0.434	3	119.1740	0.188	3	120.0543	1.171	13	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){1|N<2>,4|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	117.8800	0.000	1	117.8800	0.000	1	120.0543	1.171	13	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	119.8190	0.000	1	119.8190	0.000	1	120.0543	1.171	13	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]C)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]C){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	122.0630	0.000	1	122.0630	0.000	1	120.0543	1.171	13	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	120.8960	0.000	1	120.8960	0.000	1	120.0543	1.171	13	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,1|F<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|F<1>,1|O<2>,3|C<3>}	120.3180	0.000	1	120.7380	0.353	2	120.0543	1.171	13	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	121.1580	0.000	1	120.7380	0.353	2	120.0543	1.171	13	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H){1|O<2>,2|F<1>,3|C<3>}	120.6000	0.000	1	120.6000	0.000	1	120.0543	1.171	13	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]N[6,6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6,6]H)	C[6](N[6,6]C[6,6]B[6])2(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]N[6,6]H){1|B<4>,1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]B[6])2(H){2|C<4>,7|C<3>}	119.2415	3.976	2	119.2415	15.809	2	119.2415	15.809	2	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[6])(C[6]C[6]H)	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[6])(C[6]C[6]H){1|N<2>,2|H<1>,6|C<3>}	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|O<2>,2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	118.1560	0.000	1	118.1560	0.000	1	118.1560	0.000	1	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	119.8035	0.091	2	120.2050	0.146	5	120.0848	0.191	12	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	120.6290	0.000	1	120.2050	0.146	5	120.0848	0.191	12	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	120.3945	0.026	2	120.2050	0.146	5	120.0848	0.191	12	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	119.8807	0.174	3	119.8807	0.030	3	120.0848	0.191	12	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]O){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	120.0610	0.000	1	120.0610	0.000	1	120.0848	0.191	12	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H){1|O<2>,2|C<3>,2|F<1>}	119.7030	0.578	2	119.7030	0.335	2	120.0848	0.191	12	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	120.8840	0.000	1	120.8840	0.000	1	120.0848	0.191	12	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:O-1:	N[6,6](C[6,6]C[6]N[6])(B[6]C[6,6a]OO)(C[6]N[6]O)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6]C)(O)	N[6,6](C[6,6]C[6]N[6])(B[6]C[6,6a]OO)(C[6]N[6]O){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	121.7740	0.000	1	121.7740	0.000	1	121.7740	0.000	1	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	122.2640	0.256	2	122.2640	0.066	2	121.3975	2.554	25	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3582	1.763	20	121.3222	2.709	23	121.3975	2.554	25	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7690	0.000	1	121.3222	2.709	23	121.3975	2.554	25	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2380	0.419	2	121.3222	2.709	23	121.3975	2.554	25	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(N[6,6]C[6]2){1|C<4>,4|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.6223	0.553	31	122.6223	0.306	31	122.6223	0.306	31	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2133	0.420	7	121.4667	0.217	14	121.6904	0.694	16	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.0325	0.551	2	121.4667	0.217	14	121.6904	0.694	16	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.5952	0.268	5	121.4667	0.217	14	121.6904	0.694	16	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.2590	0.000	1	122.2590	0.000	1	121.6904	0.694	16	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6]2)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6]2)(C[6]C[6]N){1|N<3>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	124.2540	0.000	1	124.2540	0.000	1	121.6904	0.694	16	121.2687	2.722	106	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:N-2:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NH)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]N){2|C<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NH){1|C<4>,2|H<1>,3|C<3>}	123.5840	0.000	1	123.5840	0.000	1	123.5840	0.000	1	123.5840	0.000	1	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]2)	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2){1|N<3>,2|C<3>,2|N<2>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]2){1|C<4>,3|H<1>,4|C<3>}	120.6710	0.000	1	120.6710	0.000	1	120.6710	0.000	1	121.5232	2.432	5	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C-3:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C){3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	122.5717	0.471	3	122.5717	0.222	3	122.5717	0.222	3	121.5232	2.432	5	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6]-3:C[6]-3:N-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]N)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]N){2|C<2>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	121.5232	2.432	5	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C-4:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]C)	C[6,6](C[6,6a]C[5a,6,6a]C[5a,6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]C){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[5a,6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	119.5100	0.000	1	119.5100	0.000	1	120.1545	0.831	2	120.1545	0.831	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C-4:	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]C){2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,1|F<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	120.7990	0.000	1	120.7990	0.000	1	120.1545	0.831	2	120.1545	0.831	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]O)(H)	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	124.0130	0.000	1	124.0130	0.000	1	124.0130	0.000	1	124.0130	0.000	1	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.1773	0.212	4	119.2335	0.040	6	119.4443	0.345	7	119.4443	0.345	7	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.2260	0.000	1	119.2335	0.040	6	119.4443	0.345	7	119.4443	0.345	7	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.4660	0.000	1	119.2335	0.040	6	119.4443	0.345	7	119.4443	0.345	7	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<8>,1|C<3>,1|O<2>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	120.7090	0.000	1	120.7090	0.000	1	119.4443	0.345	7	119.4443	0.345	7	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]Rh)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]Rh)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]Rh)(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6]Rh)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Rh<9>,1|H<1>,2|C<3>,2|C<4>}	120.5230	0.000	1	120.5230	0.000	1	120.5230	0.000	1	121.3610	1.404	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:S-1:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]S)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(S)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]S){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(S){1|C<3>,2|C<4>,3|H<1>}	122.1990	0.000	1	122.1990	0.000	1	122.1990	0.000	1	121.3610	1.404	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	3:4:3:	4:3:3:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:O-2:	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(OH)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,7|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,2|C<4>,3|H<1>}	121.7550	1.534	2	121.7550	2.354	2	121.7550	2.354	2	121.7550	2.354	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:2:3:	3:3:1:	B[5,6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:O[6]-2:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[5,6]C[6,6a]O[5]2)(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6,6](N[6,6]B[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H)	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[5,6]C[6,6a]O[5]2)(C[6,6]C[6]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6,6]B[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H){2|H<1>,2|O<2>,3|C<3>}	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	118.1660	0.000	1	118.1660	0.000	1	118.1660	0.000	1	118.4710	0.186	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:2:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.7760	0.000	1	118.7760	0.000	1	118.7760	0.000	1	118.4710	0.186	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H){1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|N<3>,3|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	122.1310	0.000	1	122.1310	0.000	1	122.1310	0.000	1	122.1310	0.000	1	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:2:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]N[6]H){2|H<1>,6|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|O<2>,4|C<3>}	118.6270	0.202	5	118.6270	0.041	5	118.2492	0.392	13	118.2492	0.392	13	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:2:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|F<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|N<3>,2|C<3>,2|F<1>}	118.4325	0.893	2	118.0007	0.537	4	118.2492	0.392	13	118.2492	0.392	13	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:2:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|F<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	117.7520	0.000	1	118.0007	0.537	4	118.2492	0.392	13	118.2492	0.392	13	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:2:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|F<1>,2|N<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){2|C<3>,2|F<1>,2|N<3>}	117.3860	0.000	1	118.0007	0.537	4	118.2492	0.392	13	118.2492	0.392	13	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:2:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	117.9195	0.059	2	118.0252	0.591	4	118.2492	0.392	13	118.2492	0.392	13	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:2:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,2|F<1>,2|N<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){2|C<3>,2|F<1>,2|N<3>}	117.2020	0.000	1	118.0252	0.591	4	118.2492	0.392	13	118.2492	0.392	13	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:2:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:H-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|N<3>,2|C<3>,2|F<1>}	119.0600	0.000	1	118.0252	0.591	4	118.2492	0.392	13	118.2492	0.392	13	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:2:2:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:O-2:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(OC)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|F<1>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(OC){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	118.1440	0.000	1	118.1440	0.000	1	118.1440	0.000	1	118.1440	0.000	1	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:2:3:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:N[6]-2:N-3:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(NCC)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N){1|C<2>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|F<1>,2|N<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(NCC){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	115.1130	0.000	1	115.1130	0.000	1	115.1130	0.000	1	115.1130	0.000	1	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:H-1:	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]N[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]B[3x6]C[6,6])(H)	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]N[6,6]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]B[3x6]C[6,6])(H){1|B<4>,3|C<4>,4|C<3>}	117.8470	0.000	1	117.8470	0.000	1	117.8470	0.000	1	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:N[6,6]-3:H-1:	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]N[6,6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]C[6,6]H)	C[6](N[6,6]B[3x6]C[6,6])2(H)	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]N[6,6]H){1|B<4>,3|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]C[6,6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6](N[6,6]B[3x6]C[6,6])2(H){3|C<3>,6|C<4>}	117.4245	0.345	4	117.4245	0.119	4	117.4245	0.119	4	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){3|H<1>,9|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.9840	0.044	2	118.9840	0.002	2	119.2043	0.520	4	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.5990	0.000	1	118.5990	0.000	1	119.2043	0.520	4	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[5,6]C[5,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[5,6]C[5,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){1|O<2>,3|H<1>,5|C<3>}	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.2500	0.000	1	120.2500	0.000	1	119.2043	0.520	4	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[5a,6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](N[6,6]B[5a,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6,6](N[6,6]B[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,3|O<2>,4|C<3>}	C[6](N[6,6]B[5a,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	120.5467	0.217	3	120.5467	0.047	3	120.5467	0.047	3	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6,6]C[6,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(C[6]C[6]H)	C[6](N[6,6]B[6,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[6,6]C[6,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(C[6]C[6]H){1|O<2>,3|H<1>,5|C<3>}	C[6](N[6,6]B[6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	119.9740	0.010	2	119.9740	0.000	2	119.9740	0.000	2	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6,6a]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](N[6,6]B[6,6a]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6,6](N[6,6]B[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,3|O<2>,4|C<3>}	C[6](N[6,6]B[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	120.4803	0.281	3	120.4803	0.079	3	120.4803	0.079	3	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	121.0370	0.143	4	121.0370	0.020	4	121.0370	0.020	4	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	119.9070	0.000	1	119.9070	0.000	1	119.8522	0.338	20	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,8|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	119.4780	0.000	1	119.4780	0.000	1	119.8522	0.338	20	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H){1|O<2>,4|C<3>}	118.8395	0.121	2	118.8395	0.015	2	119.8522	0.338	20	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){3|H<1>,6|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.1600	0.000	1	120.1600	0.000	1	119.8522	0.338	20	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.7720	0.000	1	120.7720	0.000	1	119.8522	0.338	20	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	119.5152	0.075	4	119.5152	0.006	4	119.8522	0.338	20	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	119.5270	0.033	2	119.5270	0.001	2	119.8522	0.338	20	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6a]C[6])(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	119.7580	0.000	1	119.7580	0.000	1	119.8522	0.338	20	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	119.9080	0.154	2	119.9080	0.024	2	119.8522	0.338	20	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	120.3738	0.382	4	120.3738	0.146	4	119.8522	0.338	20	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	120.8630	0.000	1	120.8630	0.000	1	119.8522	0.338	20	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]C[6,6a]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6,6a]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H){3|H<1>,7|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	116.6820	0.000	1	116.6820	0.000	1	117.2755	0.704	2	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|F<1>,2|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	117.8690	0.000	1	117.8690	0.000	1	117.2755	0.704	2	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]H)2	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	120.7130	0.000	1	120.7130	0.000	1	120.7130	0.000	1	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	Ge[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](Ge[6]Ge[6]N[6]Fe)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](Ge[6]Ge[6]N[6]Fe)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>,2|N<3>}	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Fe<5>,1|Ge<3>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Fe<5>,1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	120.0700	0.000	1	120.0700	0.000	1	120.9185	0.507	4	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	Ge[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](Ge[6]N[6]BH)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](Ge[6]N[6]BH)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	120.8390	0.000	1	120.8390	0.000	1	120.9185	0.507	4	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	Ge[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](Ge[6]N[6]ClB)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](Ge[6]N[6]ClB)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Cl<1>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Cl<1>,1|B<4>,1|H<1>,1|N<3>,2|C<3>}	121.8090	0.000	1	121.8090	0.000	1	120.9185	0.507	4	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	Ge[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](Ge[6]N[6]ClCu)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](Ge[6]N[6]ClCu)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Cl<1>,1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Cl<1>,1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	120.9560	0.000	1	120.9560	0.000	1	120.9185	0.507	4	119.7400	1.413	48	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]N[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]N[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|H<1>,4|C<3>}	122.9870	0.000	1	122.9870	0.000	1	122.9870	0.000	1	120.2630	17.296	4	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|H<1>,5|C<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|H<1>}	121.9975	0.313	2	121.9975	0.098	2	121.9975	0.098	2	120.2630	17.296	4	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:4:1:	S[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-4:H-1:	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6a]O[6])(C[6]C[6,6a]O)	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H)	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6]S[6])(C[6]C[6a]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H){2|O<1>,3|C<3>}	114.0700	0.000	1	114.0700	0.000	1	114.0700	0.000	1	120.2630	17.296	4	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:N[6,6]-3:C[6]-4:	N[6,6]-3:C[6]-4:O-1:	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	123.8780	0.000	1	123.8780	0.000	1	123.8780	0.000	1	123.8780	0.000	1	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.1315	0.353	2	119.0613	0.077	3	119.0613	0.077	3	119.6366	0.722	5	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:3:1:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.9210	0.000	1	119.0613	0.077	3	119.0613	0.077	3	119.6366	0.722	5	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:3:1:	Ga[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H)	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	120.4995	0.501	2	120.4995	0.251	2	120.4995	0.251	2	119.6366	0.722	5	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	4:3:2:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:N[6,6]-3:N[6]-2:	C[3x6]-4:N[6,6]-3:O-1:	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O)	C[6,6](C[6,6]C[3x6]C[6,6]C)(N[6,6]C[6,6]C[6])(N[6]C[6,6])	C[6](C[3x6]C[3x6]C[6,6]C)(N[6,6]C[6,6]2)(O)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O){2|C<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[3x6]C[6,6]C)(N[6,6]C[6,6]C[6])(N[6]C[6,6]){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	C[6](C[3x6]C[3x6]C[6,6]C)(N[6,6]C[6,6]2)(O){1|C<3>,1|N<2>,1|N<3>,3|H<1>,4|C<4>}	125.0280	0.204	2	125.0280	0.041	2	125.0280	0.041	2	125.0280	0.041	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.8750	0.122	2	121.8750	0.015	2	121.8750	0.015	2	121.8750	0.015	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	5:3:3:	3:4:3:	3:3:1:	Ga[6]-5:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](Ga[6]N[6,6]N[6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H)	N[6,6](Ga[6]N[6,6]N[6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,5|C<3>}	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	118.9425	0.070	2	118.9425	0.005	2	118.9425	0.005	2	118.9425	0.005	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	6:3:3:	3:3:3:	3:3:1:	In[6]-6:C[6,6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](In[6]N[6,6]Cl3O)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](N[6,6]In[6]C[6])(N[6]C[6,6]H)(C[6]C[6]H)	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H)	N[6,6](In[6]N[6,6]Cl3O)(C[6,6]C[6]N[6])(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6](N[6,6]In[6]C[6])(N[6]C[6,6]H)(C[6]C[6]H){3|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H){3|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	117.9320	0.021	2	117.9320	0.000	2	117.9320	0.000	2	118.0143	0.021	3	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	6:3:3:	3:3:3:	3:3:1:	Nb[6]-6:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](Nb[6]O[6]O4)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]Nb[6]C[6])(C[6]C[6]H)2	C[6](N[6,6]C[6,6]Nb[6])(C[6]C[6]H)(H)	N[6,6](Nb[6]O[6]O4)(C[6,6]C[6]2)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6,6](N[6,6]Nb[6]C[6])(C[6]C[6]H)2{1|C<3>,1|C<4>,2|H<1>,5|O<2>}	C[6](N[6,6]C[6,6]Nb[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,5|O<2>}	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	118.0143	0.021	3	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6,6]	C[6]	6:3:3:	3:4:3:	3:3:1:	In[6]-6:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6](In[6]N[6,6]O[5]Cl3)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H)	N[6,6](In[6]N[6,6]O[5]Cl3)(C[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){3|Cl<1>,1|N<3>,1|O<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<3>}	118.8380	0.294	2	118.8380	0.087	2	118.8380	0.087	2	118.8380	0.087	2	120.5878	3.252	283	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:C[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Fe)(C[6]C[6]N)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Fe)(C[6]C[6]N){2|C<3>,4|H<1>}	118.3985	0.531	2	118.3985	0.282	2	118.3985	0.282	2	118.3985	0.282	2	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6,6]-3:C[6a]-3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	122.4670	0.000	1	122.4670	0.000	1	121.9860	0.463	2	121.9860	0.463	2	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6,6]-3:C[6a]-3:	N[5a,6]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H)	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H){2|H<1>,6|C<3>}	121.5050	0.000	1	121.5050	0.000	1	121.9860	0.463	2	121.9860	0.463	2	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:3:3:	3:4:2:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-4:N-2:	N[6,6]-3:C[6]-3:N[6]-2:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5]N[6]H)(NC[6a])	C[6,6](N[6,6]C[6]2)(C[6]C[6]Cl)(N[6]N[6])	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5]N[6]H)(NC[6a]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]Cl)(N[6]N[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	118.1720	0.000	1	118.1720	0.000	1	118.1720	0.000	1	118.1720	0.000	1	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:	3:2:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:O-1:	N[6,6]-3:S[6]-2:N[6]-2:	N[6,6](C[6,6]N[6]S[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6](N[6,6]C[6]2)(S[6]C[6,6a])(N[6]C[6])	N[6,6](C[6,6]N[6]S[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,3|H<1>}	C[6,6](N[6,6]C[6]2)(S[6]C[6,6a])(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	127.0250	0.626	2	127.0250	0.392	2	127.0250	0.392	2	127.0250	0.392	2	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:	3:2:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:S-1:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]S)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(S)	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]C)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]S)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(S){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]C){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	122.3980	0.000	1	122.3980	0.000	1	122.3980	0.000	1	122.3980	0.000	1	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:O-1:	N[6]-3:N[6,6]-3:C[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	123.7170	0.229	2	123.7170	0.052	2	123.7170	0.052	2	123.7170	0.052	2	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:4:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:N[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]MnH)	C[6](C[6]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]MnH)(N[6,6]C[6]2)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]MnH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Mn<7>,2|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]MnH)(N[6,6]C[6]2){1|C<4>,3|H<1>,4|C<3>}	123.6470	0.000	1	123.6470	0.000	1	123.6470	0.000	1	123.6470	0.000	1	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:2:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-2:C[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6,6])(C[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6,6])(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	122.7680	0.455	2	122.7680	0.207	2	122.7680	0.207	2	122.7680	0.207	2	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H){2|C<3>,4|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.5570	0.000	1	119.5570	0.000	1	120.4645	0.167	8	120.6411	0.281	10	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	120.3550	0.000	1	120.3550	0.000	1	120.4645	0.167	8	120.6411	0.281	10	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:B[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|O<2>,2|C<3>,2|F<1>,2|H<1>}	120.6340	0.179	6	120.6340	0.032	6	120.4645	0.167	8	120.6411	0.281	10	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	121.1120	0.000	1	121.1120	0.000	1	121.3475	0.111	2	120.6411	0.281	10	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	121.5830	0.000	1	121.5830	0.000	1	121.3475	0.111	2	120.6411	0.281	10	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-4:N[6]-2:	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(N[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	117.4850	0.000	1	117.4850	0.000	1	117.4850	0.000	1	117.4850	0.000	1	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-4:C[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(C[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	119.1410	0.000	1	119.1410	0.000	1	119.1410	0.000	1	119.1410	0.000	1	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6]-4:O-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	122.3720	0.000	1	122.3720	0.000	1	122.3720	0.000	1	122.3720	0.000	1	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	4:3:3:	3:3:1:	3:3:3:	B[3x6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]B[3x6]C[6,6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[3x6]C[6])(C[6]C[6]H)2	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|C<3>,4|C<4>,5|H<1>}	C[6](N[6,6]B[3x6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](N[6,6]B[3x6]C[6])(C[6]C[6]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.4520	0.000	1	119.4520	0.000	1	119.4520	0.000	1	119.7667	0.074	3	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6,6]	C[6]	C[6,6]	4:3:3:	3:3:1:	3:3:3:	B[6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.9240	0.007	2	119.9240	0.000	2	119.9240	0.000	2	119.7667	0.074	3	121.2640	5.228	30	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:H-1:	N[6,6]-3:N[6]-3:C[6]-3:	N[6,6]-3:N[6]-3:C[6]-3:	N[6](C[6,6]N[6,6]C[6])2(H)	C[6,6](N[6,6]In[6]C[6])(N[6]C[6,6]H)(C[6]C[6]H)	C[6,6](N[6,6]In[6]C[6])(N[6]C[6,6]H)(C[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])2(H){1|In<6>,2|H<1>,4|C<3>}	C[6,6](N[6,6]In[6]C[6])(N[6]C[6,6]H)(C[6]C[6]H){3|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]In[6]C[6])(N[6]C[6,6]H)(C[6]C[6]H){3|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	129.7870	0.000	1	129.7870	0.000	1	129.7870	0.000	1	129.7870	0.000	1	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:1:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	120.9680	0.000	1	121.4879	0.956	19	121.4879	0.956	19	121.5186	0.925	20	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:1:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	121.5715	1.033	15	121.4879	0.956	19	121.4879	0.956	19	121.5186	0.925	20	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:1:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.9250	0.000	1	121.4879	0.956	19	121.4879	0.956	19	121.5186	0.925	20	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:1:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.4025	1.249	2	121.4879	0.956	19	121.4879	0.956	19	121.5186	0.925	20	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:1:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:O-1:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP)	N[6](C[6,6]C[6,6]C[6])2(O){1|C<3>,2|H<1>,2|P<4>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP){1|C<3>,2|C<4>,5|H<1>}	122.1020	0.000	1	122.1020	0.000	1	122.1020	0.000	1	121.5186	0.925	20	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:2:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:O-2:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(OH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(OH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	122.9080	0.000	1	122.8490	0.007	2	122.8490	0.007	2	122.8490	0.007	2	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:2:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:O-2:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(OH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(OH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	122.7900	0.000	1	122.8490	0.007	2	122.8490	0.007	2	122.8490	0.007	2	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){1|F<1>,3|C<4>,4|C<3>,5|H<1>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	119.8660	0.000	1	119.9692	0.090	13	119.9358	0.098	14	120.1634	0.626	17	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	119.7615	0.161	2	119.9692	0.090	13	119.9358	0.098	14	120.1634	0.626	17	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	120.0058	0.423	6	119.9692	0.090	13	119.9358	0.098	14	120.1634	0.626	17	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	120.0590	0.165	2	119.9692	0.090	13	119.9358	0.098	14	120.1634	0.626	17	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	120.0285	0.040	2	119.9692	0.090	13	119.9358	0.098	14	120.1634	0.626	17	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH)	N[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){1|S<2>,2|C<4>,4|C<3>,6|H<1>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	119.5020	0.000	1	119.5020	0.000	1	119.9358	0.098	14	120.1634	0.626	17	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:N-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(NCH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(NCH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	122.0800	0.492	2	122.0800	0.242	2	121.2253	2.312	3	120.1634	0.626	17	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:N-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(NHH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(NHH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	119.5160	0.000	1	119.5160	0.000	1	121.2253	2.312	3	120.1634	0.626	17	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:4:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(CCHH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	119.5970	0.516	2	119.3731	0.207	9	119.3351	0.165	12	119.1771	0.335	14	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:4:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(CCHH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	119.0252	0.290	4	119.3731	0.207	9	119.3351	0.165	12	119.1771	0.335	14	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:4:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(CCHH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(CCHH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	119.6877	0.358	3	119.3731	0.207	9	119.3351	0.165	12	119.1771	0.335	14	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:4:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(CC[6a]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(CC[6a]HH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	119.2985	0.260	2	119.2985	0.067	2	119.3351	0.165	12	119.1771	0.335	14	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:4:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(CH3)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	119.0660	0.000	1	119.0660	0.000	1	119.3351	0.165	12	119.1771	0.335	14	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:4:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:C[3]-4:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	118.7040	0.000	1	118.2290	0.451	2	118.2290	0.451	2	119.1771	0.335	14	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6,6]	3:3:4:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:C[3]-4:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[6,6]-3:C[6]-4:	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	N[6](C[6,6]C[6,6]C[6])2(C[3]C[3]2H){2|C<3>,3|C<4>,8|H<1>}	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	117.7540	0.000	1	118.2290	0.451	2	118.2290	0.451	2	119.1771	0.335	14	120.6873	3.293	54	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:2:2:	C[6,6]-3:C[6]-3:H-1:	N[6,6,6a]-3:N[6]-3:N[6]-2:	N[6]-3:N[6]-2:N-2:	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)(H)	C[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6,6]H)(N[6]C[6,6a])(NP)	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)(H){3|C<3>}	C[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]H)(N[6]C[6]){6|N<2>}	C[6](N[6]C[6,6]H)(N[6]C[6,6a])(NP){1|N<3>,2|N<2>}	120.8680	0.000	1	120.8680	0.000	1	120.8680	0.000	1	120.8680	0.000	1	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9350	0.000	1	118.9350	0.000	1	118.9350	0.000	1	123.1903	3.437	11	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]S[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,3|O<1>}	C[6](N[6]C[6,6]H)(C[6]S[6]H)(H){2|C<3>,2|O<1>}	123.3410	0.725	2	123.3410	0.526	2	123.3410	0.526	2	123.1903	3.437	11	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.9970	0.000	1	122.9970	0.000	1	122.9340	0.044	6	123.1903	3.437	11	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.9214	0.231	5	122.9214	0.054	5	122.9340	0.044	6	123.1903	3.437	11	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]O)(H)	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]O)(H){1|C<2>,1|C<4>,3|C<3>}	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,3|C<3>}	125.9360	0.000	2	125.9360	0.000	2	125.9360	0.000	2	123.1903	3.437	11	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:N[6]-3:	N[6]-3:N[6]-3:N-3:	N[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH)	N[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(NHH){1|H<1>,3|C<3>}	121.4460	0.192	3	121.4460	0.037	3	121.4460	0.037	3	121.4460	0.037	3	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]C)(H){2|C<4>,3|C<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	124.2130	0.017	2	124.2130	0.000	2	124.2130	0.000	2	124.2130	0.000	2	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6,6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]CH)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(N[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	123.2700	0.000	1	123.2700	0.000	1	123.2700	0.000	1	123.2700	0.000	1	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]H)(O){2|C<3>,2|C<4>,3|H<1>}	123.7510	0.000	1	123.7510	0.000	1	123.7510	0.000	1	123.7510	0.000	1	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	124.0660	0.000	1	124.0660	0.000	1	124.0660	0.000	1	122.7770	1.262	4	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:N[6]-3:S-1:	N[6](C[6,6]C[6,6]C[6])(C[6]N[6]S)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S)	N[6](C[6,6]C[6,6]C[6])(C[6]N[6]S)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|H<1>}	C[6](N[6]C[6,6]H)(N[6]C[6]H)(S){1|C<4>,1|H<1>,2|C<3>}	123.3700	0.000	1	123.3700	0.000	1	123.3700	0.000	1	122.7770	1.262	4	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O)	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.8360	0.020	2	121.8360	0.000	2	121.8360	0.000	2	122.7770	1.262	4	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6]H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6]H){1|C<4>,3|H<1>,6|C<3>}	121.5960	0.000	1	121.5960	0.000	1	121.5960	0.000	1	121.7523	0.050	3	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-3:N-3:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(NHH)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	121.8305	0.252	2	121.8305	0.064	2	121.8305	0.064	2	121.7523	0.050	3	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	122.2632	0.401	9	122.3189	0.137	17	122.3128	0.130	18	122.3128	0.130	18	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	122.3816	0.349	8	122.3189	0.137	17	122.3128	0.130	18	122.3128	0.130	18	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	122.2080	0.000	1	122.2080	0.000	1	122.3128	0.130	18	122.3128	0.130	18	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(N[6]C[6]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	123.1150	0.000	1	123.1150	0.000	1	123.1150	0.000	1	123.1150	0.000	1	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6]-4:C[6,6]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O)	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.2160	0.000	1	119.2160	0.000	1	119.2160	0.000	1	119.2160	0.000	1	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:3:	C[6,6]-3:C[6]-3:O-1:	C[5,6]-4:C[6,6]-3:N[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	N[6](C[6,6]C[5,6]C[6,6])(C[6]C[6a]C[6])(O)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6]O)(C[6]C[6]C)	N[6](C[6,6]C[5,6]C[6,6])(C[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6]O)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	120.6020	0.178	2	120.6020	0.032	2	120.6020	0.032	2	120.6020	0.032	2	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	126.6830	0.000	1	126.6830	0.000	1	126.6830	0.000	1	126.6830	0.000	1	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	5:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6]-5:C[6,6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6]C[6]OYY)(C[6,6]C[6]2)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|Y<14>,1|H<1>,1|O<3>,3|C<3>}	C[6,6](C[6]C[6]OYY)(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<5>,1|H<1>}	124.5370	0.000	1	124.5370	0.000	1	124.6225	0.015	2	124.6225	0.015	2	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	5:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6]-5:C[6,6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6]C[6]Yb2O)(C[6,6]C[6]2)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|Yb<14>,1|H<1>,1|O<3>,3|C<3>}	C[6,6](C[6]C[6]Yb2O)(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<5>,1|H<1>}	124.7080	0.000	1	124.7080	0.000	1	124.6225	0.015	2	124.6225	0.015	2	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	N[6]-3:C[6]-3:N-3:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[5,6]C)(NHH){1|C<4>,5|C<3>}	120.0430	0.526	3	120.0430	0.277	3	120.0430	0.277	3	120.0002	0.113	6	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[6]-3:N-3:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,4|C<3>}	119.9630	0.017	2	119.9573	0.000	3	119.9573	0.000	3	120.0002	0.113	6	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[6]-3:N-3:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,4|C<3>}	119.9460	0.000	1	119.9573	0.000	3	119.9573	0.000	3	120.0002	0.113	6	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,2|O<1>,3|C<3>,4|C<4>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	122.5520	0.000	1	122.4100	0.069	3	122.4100	0.069	3	122.4100	0.069	3	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	122.3390	0.328	2	122.4100	0.069	3	122.4100	0.069	3	122.4100	0.069	3	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:3:	4:3:2:	3:4:1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[3x6]-4:N[6]-3:N[6]-2:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6]C[3x6]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]2C)(N[6]C[6a]C[6])(N[6]C[6])	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]CH)(O)	N[6](C[6,6]C[3x6]N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2C)(N[6]C[6a]C[6])(N[6]C[6]){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]CH)(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	125.5360	0.000	1	125.5360	0.000	1	125.5360	0.000	1	125.5360	0.000	1	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:N[6]-3:N[6]-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6])	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6]){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<3>,1|N<2>,1|O<2>}	122.2830	0.403	2	122.2830	0.162	2	122.1873	0.109	3	122.1275	0.087	4	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:N[6]-3:N[6]-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6])	C[6](N[6]C[6,6]C)(N[6]C[6]H)(O)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6]){1|Co<6>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[6,6]C)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<2>}	121.9960	0.000	1	121.9960	0.000	1	122.1873	0.109	3	122.1275	0.087	4	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:N[6]-3:O[6]-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]S)(CCHH)	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(O[6]C[6])	C[6](N[6]C[6,6]C)(N[6]C[6]C)(S)	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]S)(CCHH){1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,1|S<1>,4|C<4>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(S){1|C<3>,1|O<1>,1|O<2>}	121.9480	0.000	1	121.9480	0.000	1	121.9480	0.000	1	122.1275	0.087	4	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CH3)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	122.2897	0.728	4	122.2897	0.530	4	122.2897	0.530	4	122.2897	0.530	4	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:4:	4:2:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-2:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(N[6]C[6,6a])(N[6]C[6]C)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(N[6]C[6,6a])(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<2>,1|O<1>}	124.4890	0.000	1	124.4890	0.000	1	123.8190	0.898	2	123.8190	0.898	2	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:4:	4:2:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-2:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	C[6,6](C[6,6]C[6]N[6]O)(N[6]C[6,6a])(N[6]C[6]C)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]N[6]O)(N[6]C[6,6a])(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<2>,1|O<1>}	123.1490	0.000	1	123.1490	0.000	1	123.8190	0.898	2	123.8190	0.898	2	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6]-4:C[6,6]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.8698	0.118	4	120.8698	0.014	4	120.8698	0.014	4	120.8698	0.014	4	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]HP)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6a]HH){1|P<4>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]HP)(O){1|C<4>,1|H<1>,2|C<3>}	125.0980	0.000	1	125.0980	0.000	1	125.0980	0.000	1	125.0980	0.000	1	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:5:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:B-5:	C[6,6]-3:N[6]-3:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(BRhH3)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)(N[6]C[6]B)	C[6](N[6]C[6,6]B)(C[6]C[6]H)(CH3)	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(BRhH3){1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)(N[6]C[6]B){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]B)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:2:1:	C[6,6]-3:C[5]-4:C[6]-3:	N[6]-3:C[6,6]-3:N[6]-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H)	C[6,6](N[6]C[5]C[6])(C[6,6]C[6]2)(N[6]C[6])	C[6](N[6]C[6,6]C[5])(N[6]C[6])(H)	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](N[6]C[5]C[6])(C[6,6]C[6]2)(N[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>,2|O<1>}	C[6](N[6]C[6,6]C[5])(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	118.8450	0.000	1	118.8450	0.000	1	118.8450	0.000	1	118.8450	0.000	1	122.2850	2.568	78	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-2:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(C[6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(CH3){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]H){1|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(C[6]C[6]){2|H<1>,4|C<3>}	121.5390	0.000	1	121.5390	0.000	1	121.5390	0.000	1	121.5390	0.000	1	121.5390	0.000	1	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	2:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	S-2:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](SB[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](SB[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	123.7410	0.000	1	123.7410	0.000	1	123.2713	0.195	3	123.2713	0.195	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	2:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	S-2:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](SC[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](SC[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	123.0365	0.243	2	123.0365	0.059	2	123.2713	0.195	3	123.2713	0.195	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]N[6]O)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]N[6]O)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<2>,1|N<3>,1|O<1>}	124.6750	0.000	2	124.4767	0.118	3	124.4767	0.118	3	124.4767	0.118	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]N[6]O)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]N[6]O)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<2>,2|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<2>,2|O<1>}	124.0800	0.000	1	124.4767	0.118	3	124.4767	0.118	3	124.4767	0.118	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]O)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]N[6]O)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|N<2>,2|O<1>}	123.6648	0.491	19	123.6648	0.241	19	123.6648	0.241	19	123.8232	0.279	36	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	C[6](N[6]C[6]H)2(S)	N[6](C[6]N[6]S)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,2|S<1>}	C[6](N[6]C[6]H)2(S){1|N<2>,2|S<1>}	124.0003	0.525	17	124.0003	0.276	17	124.0003	0.276	17	123.8232	0.279	36	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:F-1:	N[6]-3:N[6]-2:O-2:	N[6]-3:N[6]-2:O-2:	N[6](C[6]N[6]O)2(F)	C[6](N[6]C[6]F)(N[6]C[6])(OC)	C[6](N[6]C[6]F)(N[6]C[6])(OC)	N[6](C[6]N[6]O)2(F){1|C<3>}	C[6](N[6]C[6]F)(N[6]C[6])(OC){1|N<2>,2|O<2>}	C[6](N[6]C[6]F)(N[6]C[6])(OC){1|N<2>,2|O<2>}	121.5530	0.000	1	121.5530	0.000	1	121.5530	0.000	1	120.7487	0.537	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:N[6]-2:N-2:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC)	C[6](N[6]C[6]H)(N[6]C[6])(NC)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NC){3|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(NC){3|N<2>}	120.5740	0.000	1	120.5740	0.000	1	120.3465	0.104	2	120.7487	0.537	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:N[6]-2:N-2:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){3|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){3|N<2>}	120.1190	0.000	1	120.1190	0.000	1	120.3465	0.104	2	120.7487	0.537	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:N[6]-2:C-4:	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|N<2>}	119.2310	0.000	1	119.5880	0.255	2	119.5880	0.255	2	119.5880	0.255	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:N[6]-2:C-4:	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,2|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){3|N<2>}	119.9450	0.000	1	119.5880	0.255	2	119.5880	0.255	2	119.5880	0.255	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(OCa)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(OCa){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>}	121.3070	0.000	1	121.3070	0.000	1	121.4293	0.124	3	121.4958	0.100	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(OCo)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(OCo){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>}	121.8260	0.000	1	121.8260	0.000	1	121.4293	0.124	3	121.4958	0.100	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(OMn)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(OMn){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>}	121.1550	0.000	1	121.1550	0.000	1	121.4293	0.124	3	121.4958	0.100	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	C[6](N[6]C[6]H)2(S)	N[6](C[6]N[6]S)2(H){1|C<4>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	121.6950	0.000	1	121.6950	0.000	1	121.6950	0.000	1	121.4958	0.100	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6]-3:N[6]-3:N-2:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC)	C[6](N[6]C[6]H)2(NC)	N[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NC){1|N<3>,2|N<2>}	C[6](N[6]C[6]H)2(NC){3|N<2>}	121.7155	0.422	2	121.7155	0.178	2	121.7155	0.178	2	121.7155	0.178	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:S[6]-2:N-2:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]S[6]N)(H)	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<2>,1|S<2>,2|H<1>}	128.3920	0.000	1	128.3920	0.000	1	128.3920	0.000	1	128.3920	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-2:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<3>,2|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|N<2>,2|N<3>}	120.3080	0.000	1	120.3080	0.000	1	120.3080	0.000	1	119.2767	1.090	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:S-2:	N[6](C[6]N[6]N)(C[6]N[6]S)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]N[6]N)(C[6]N[6]S)(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|N<2>,1|N<3>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|N<2>,2|N<3>}	118.7610	0.765	2	118.7610	0.585	2	118.7610	0.585	2	119.2767	1.090	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	C[6](N[6]C[6]H)(N[6]C[6])(NHN)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|N<2>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHN){1|N<2>,2|N<3>}	117.8926	0.572	5	117.8926	0.328	5	119.2689	0.364	91	119.2689	0.364	91	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|N<2>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|N<2>,2|N<3>}	119.4720	0.000	1	119.4720	0.000	1	119.2689	0.364	91	119.2689	0.364	91	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	119.3550	0.000	1	119.3475	0.255	85	119.2689	0.364	91	119.2689	0.364	91	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	119.3252	0.486	82	119.3475	0.255	85	119.2689	0.364	91	119.2689	0.364	91	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<3>,2|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<3>,2|N<2>}	120.2580	0.799	2	119.3475	0.255	85	119.2689	0.364	91	119.2689	0.364	91	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-2:C-4:	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|N<2>,2|N<3>}	119.5040	0.365	10	119.5040	0.133	10	119.5040	0.133	10	119.5040	0.133	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)(N[6]C[6])(CHH)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(CHH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	123.9330	0.000	1	123.9330	0.000	1	123.9330	0.000	1	120.2979	1.524	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<2>,2|N<3>}	119.8026	0.867	27	119.8026	0.751	27	119.8703	0.673	39	120.2979	1.524	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>}	120.6664	0.129	5	120.0227	0.513	12	119.8703	0.673	39	120.2979	1.524	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,2|N<3>}	119.5630	0.581	7	120.0227	0.513	12	119.8703	0.673	39	120.2979	1.524	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:N-1:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(N)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|Cl<1>,1|C<3>,1|N<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(N){1|Cl<1>,1|N<2>,1|N<3>}	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	120.2979	1.524	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	C[6](N[6]C[6]H)2(O)	N[6](C[6]N[6]N)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|O<1>,2|N<3>}	C[6](N[6]C[6]H)2(O){1|N<2>,2|N<3>}	122.1285	0.551	6	122.1285	0.304	6	122.1285	0.304	6	120.2979	1.524	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]N)(C[6]N[6]O)(O)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	C[6](N[6]C[6]O)2(O)	N[6](C[6]N[6]N)(C[6]N[6]O)(O){1|C<3>,1|O<2>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|O<1>,2|N<3>}	C[6](N[6]C[6]O)2(O){1|N<2>,2|N<3>}	122.3150	0.000	1	122.3150	0.000	1	122.3150	0.000	1	120.2979	1.524	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-3:N-2:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]H)2(NH)	N[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	C[6](N[6]C[6]H)2(NH){1|N<2>,2|N<3>}	120.2455	0.045	2	120.2455	0.002	2	120.2455	0.002	2	120.2455	0.002	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-3:N-3:	N[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	C[6](N[6]C[6]H)2(NHH)	N[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){3|N<3>}	C[6](N[6]C[6]H)2(NHH){1|N<2>,2|N<3>}	120.5861	0.500	12	120.5861	0.250	12	120.5861	0.250	12	120.5729	0.232	18	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-3:N-3:	N[6](C[6]N[6]N)2(O)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	C[6](N[6]C[6]O)2(NHH)	N[6](C[6]N[6]N)2(O){1|C<3>,1|O<1>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){3|N<3>}	C[6](N[6]C[6]O)2(NHH){1|N<2>,2|N<3>}	120.5467	0.488	6	120.5467	0.238	6	120.5467	0.238	6	120.5729	0.232	18	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>}	120.5323	0.519	9	120.5323	0.270	9	120.5323	0.270	9	120.5323	0.270	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cl<1>,1|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|N<2>,2|C<4>}	121.6540	0.202	2	121.6540	0.041	2	121.6540	0.041	2	121.6540	0.041	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-1:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(N)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(N){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<1>,1|N<3>}	125.7560	0.000	1	125.7560	0.000	1	125.7560	0.000	1	125.6140	0.427	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:S-1:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(S)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(S){1|N<3>,2|H<1>,2|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<1>}	125.1490	0.000	1	125.1490	0.000	1	125.5903	0.508	6	125.6140	0.427	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:S-1:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<1>}	124.9185	0.036	2	125.6786	0.576	5	125.5903	0.508	6	125.6140	0.427	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:S-1:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<1>}	125.8240	0.000	1	125.6786	0.576	5	125.5903	0.508	6	125.6140	0.427	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:S-1:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S){1|C<3>,2|H<1>,2|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<1>}	126.3660	0.426	2	125.6786	0.576	5	125.5903	0.508	6	125.6140	0.427	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	N[6]-2:N[6]-3:C-4:	N[6](C[6]C[6,6a]S)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	C[6](N[6]C[6,6a])(N[6]C[6]H)(CCHH)	N[6](C[6]C[6,6a]S)(C[6]N[6]C)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6]H)(CCHH){1|S<1>,2|C<3>}	124.5410	0.000	1	124.5410	0.000	1	124.5410	0.000	1	124.5410	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-2:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(C[6]C[6])(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	121.7897	1.755	3	121.7897	3.079	3	122.3083	3.128	4	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-2:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(C[6]C[6])(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](N[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	123.8640	0.000	1	123.8640	0.000	1	122.3083	3.128	4	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	119.6673	0.757	3	119.6673	0.573	3	119.6673	0.573	3	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,2|H<1>}	123.9190	1.141	3	123.9190	1.303	3	123.9190	1.303	3	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|Cl<1>,1|N<2>,1|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|Cl<1>,1|C<3>,1|O<1>}	125.4288	0.368	4	125.8802	1.121	5	126.0862	1.271	21	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	127.6860	0.000	1	125.8802	1.121	5	126.0862	1.271	21	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]F)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	126.9480	0.000	1	126.9480	0.000	1	126.0862	1.271	21	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|O<1>,2|C<3>}	126.7350	0.000	1	125.7687	0.778	3	126.0862	1.271	21	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|Cl<1>,1|N<2>,1|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|Cl<1>,1|C<3>,1|O<1>}	125.2855	0.394	2	125.7687	0.778	3	126.0862	1.271	21	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	123.7430	0.000	1	126.1796	1.638	12	126.0862	1.271	21	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,2|O<1>}	125.9495	0.285	2	126.1796	1.638	12	126.0862	1.271	21	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	127.4327	0.321	3	126.1796	1.638	12	126.0862	1.271	21	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	124.6065	0.057	2	126.1796	1.638	12	126.0862	1.271	21	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,2|O<1>}	126.7505	0.491	4	126.1796	1.638	12	126.0862	1.271	21	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]N[6]O)2(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]N[6]O)2(H){1|Zn<4>,1|C<3>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<3>,2|O<1>}	125.0000	0.000	1	125.0000	0.000	1	125.0000	0.000	1	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:N[6]-2:S-1:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(S)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]N[6]S)2(H){1|Zn<5>,1|C<3>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(S){1|N<2>,1|S<1>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,1|S<1>,1|S<2>}	122.9870	0.000	1	122.7815	0.084	2	122.7815	0.084	2	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:N[6]-2:S-1:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(S)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]N[6]S)2(H){1|Zn<6>,1|C<3>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(S){1|N<2>,1|S<1>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,1|S<1>,1|S<2>}	122.5760	0.000	1	122.7815	0.084	2	122.7815	0.084	2	124.6578	5.669	34	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|H<1>}	120.8715	0.329	2	120.8715	0.108	2	121.9581	0.275	12	122.1605	0.396	15	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NS)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(NS){1|C<3>,2|H<1>}	122.1754	0.097	10	122.1754	0.009	10	121.9581	0.275	12	122.1605	0.396	15	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(SCu)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(SCu){1|C<3>,2|H<1>}	122.9700	0.168	3	122.9700	0.028	3	122.9700	0.028	3	122.1605	0.396	15	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	121.3230	0.000	1	121.3230	0.000	1	121.1652	0.562	30	121.1442	0.902	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	121.2150	0.167	2	121.2150	0.028	2	121.1652	0.562	30	121.1442	0.902	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	118.7600	0.000	1	118.7600	0.000	1	121.1652	0.562	30	121.1442	0.902	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	121.2478	0.641	26	121.2478	0.411	26	121.1652	0.562	30	121.1442	0.902	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<3>,2|O<1>}	123.2210	0.000	1	123.2210	0.000	1	123.2210	0.000	1	121.1442	0.902	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](N[6]C[6]O)(N[6]C[6])(NCH)	N[6](C[6]C[6]H)(C[6]N[6]N)(O){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]O)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	118.4370	0.000	1	118.4370	0.000	1	118.4370	0.000	1	121.1442	0.902	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)(C[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	123.4510	0.000	1	123.4510	0.000	1	123.4510	0.000	1	123.4510	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:D-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(D)	C[6](C[6]C[6]C)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	N[6](C[6]C[6]H)2(D){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]D)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,2|H<1>}	122.0530	0.000	1	122.0530	0.000	1	121.7906	0.261	7	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:D-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(D)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	N[6](C[6]C[6]H)2(D){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,1|C<4>,1|H<1>}	121.5790	0.000	1	121.7468	0.297	6	121.7906	0.261	7	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:D-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(D)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	N[6](C[6]C[6]H)2(D){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,1|H<1>,1|N<3>}	121.4525	0.804	2	121.7468	0.297	6	121.7906	0.261	7	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:D-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(D)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	N[6](C[6]C[6]H)2(D){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,2|H<1>}	121.4770	0.000	1	121.7468	0.297	6	121.7906	0.261	7	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:D-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(D)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	N[6](C[6]C[6]H)2(D){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|H<1>,2|C<3>}	122.2600	0.192	2	121.7468	0.297	6	121.7906	0.261	7	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]H)(N[6]C[6]F)(H)	C[6](C[6]C[6]H)(N[6]C[6]F)(H)	N[6](C[6]C[6]H)2(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]F)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]F)(H){1|C<3>,2|H<1>}	126.5970	0.000	1	126.5970	0.000	1	126.5970	0.000	1	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:Cl-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[5,6]Cl)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(Cl)	C[6](N[6]C[5,6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5,6]Cl)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(Cl){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5,6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	118.1370	0.000	1	118.1370	0.000	1	118.1370	0.000	1	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	C[6](C[6]C[5,6]F)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|F<1>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]F)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|O<2>}	128.0460	0.000	1	128.0460	0.000	1	128.0460	0.000	1	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	C[6](N[6]C[5,6]Ru)(N[6]C[6]H)(H)	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5,6]Ru)(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	133.0360	1.792	2	133.0360	3.211	2	133.0360	3.211	2	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.0720	0.000	1	123.0720	0.000	1	122.4185	0.854	2	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	121.7650	0.000	1	121.7650	0.000	1	122.4185	0.854	2	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[6](C[6]C[5a,6]N)(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5a,6]N)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|S<2>}	126.5440	0.000	1	126.5440	0.000	1	126.9970	0.510	3	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O){1|C<3>,1|N<3>,1|O<1>}	127.8200	0.000	1	127.2235	0.712	2	126.9970	0.510	3	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|S<2>}	126.6270	0.000	1	127.2235	0.712	2	126.9970	0.510	3	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a,6]O)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|N<2>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<1>}	125.9360	0.000	1	125.9360	0.000	1	125.9360	0.000	1	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]H)(H){1|H<1>,4|C<3>}	122.5713	0.143	3	122.5713	0.020	3	122.9595	2.156	15	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	123.3825	0.446	2	123.0565	2.689	12	122.9595	2.156	15	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	122.9913	1.799	10	123.0565	2.689	12	122.9595	2.156	15	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)2(H){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	126.7860	0.000	1	126.7860	0.000	1	126.7860	0.000	1	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(O){1|O<1>,2|C<3>}	127.2070	0.000	1	127.2070	0.000	1	127.2070	0.000	1	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H){1|O<1>,2|C<3>}	124.0830	0.000	1	124.0830	0.000	1	124.0830	0.000	1	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]S)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]S)(C[6]C[6]H)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(H){1|S<1>,2|C<3>}	125.6580	0.000	1	125.6580	0.000	1	125.6580	0.000	1	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]S)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]S)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|S<1>}	127.3190	0.000	1	127.3190	0.000	1	127.3190	0.000	1	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6,6a]S)(C[6]N[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(S)	N[6](C[6]C[6,6a]S)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(S){1|S<1>,2|C<3>}	126.3320	0.000	1	126.3320	0.000	1	126.4765	0.042	2	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:S-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6,6a]S)(C[6]N[6]S)(H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(S)	N[6](C[6]C[6,6a]S)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|N<3>,1|S<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|S<1>}	126.6210	0.000	1	126.6210	0.000	1	126.4765	0.042	2	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:N[6]-3:Br-1:	N[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	N[6](C[6]C[6]Br)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	121.2830	0.000	1	121.2830	0.000	1	121.2830	0.000	1	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>}	121.0630	0.000	1	120.9230	0.606	4	120.9230	0.606	4	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>}	120.8763	0.947	3	120.9230	0.606	4	120.9230	0.606	4	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	122.7010	0.000	1	122.7010	0.000	1	122.1030	2.680	13	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	121.8990	0.000	1	121.8990	0.000	1	122.1030	2.680	13	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	122.0672	1.782	11	122.0672	3.175	11	122.1030	2.680	13	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	123.1260	0.000	1	123.1260	0.000	1	122.3606	0.683	13	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	121.8874	0.594	8	121.8874	0.352	8	122.3606	0.683	13	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	123.1158	0.597	4	123.1158	0.356	4	122.3606	0.683	13	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]B[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]B[6a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,3|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.2520	0.065	3	122.2520	0.004	3	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[4]C[6])(N[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	123.0675	0.281	2	123.0675	0.079	2	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.9515	0.374	2	123.0319	0.350	11	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	123.8320	0.000	1	123.0319	0.350	11	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	123.0655	0.348	4	123.0319	0.350	11	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.8385	0.854	4	123.0319	0.350	11	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	120.9440	1.263	2	120.9440	1.595	2	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.8710	0.437	3	122.5410	1.788	11	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.6030	0.000	1	122.5410	1.788	11	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	121.9813	2.314	3	122.5410	1.788	11	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.6977	1.344	4	122.5410	1.788	11	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6,6]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]C[6])(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	123.5240	0.023	2	123.5240	0.001	2	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(N[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	123.0098	0.120	5	123.0098	0.014	5	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]As)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|As<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]As)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	123.1590	0.000	1	123.1590	0.000	1	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]B)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.5291	0.545	13	122.5291	0.297	13	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	121.4675	4.108	2	121.4675	16.872	2	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.6120	0.000	1	122.6120	0.000	1	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.3950	0.000	1	122.9019	1.307	27	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.9370	0.000	1	122.9019	1.307	27	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	123.0407	1.009	25	122.9019	1.307	27	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	123.2414	1.039	25	123.2036	1.020	27	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.9800	0.000	1	123.2036	1.020	27	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.4810	0.000	1	123.2036	1.020	27	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|D<1>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|D<1>,2|H<1>}	119.2690	0.000	1	122.1313	1.468	187	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.3490	0.686	24	122.1313	1.468	187	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	123.3980	0.000	1	122.1313	1.468	187	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.1815	1.374	73	122.1313	1.468	187	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.0862	0.247	4	122.1313	1.468	187	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.4807	0.984	76	122.1313	1.468	187	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	121.9241	0.580	8	122.1313	1.468	187	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.9900	0.096	2	122.9900	0.009	2	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|P<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.8740	0.000	1	122.8740	0.000	1	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	124.4656	1.605	14	124.4656	2.576	14	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.0630	0.000	1	123.4157	1.296	17	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	123.6252	0.766	16	123.4157	1.296	17	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	122.4540	0.415	18	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	115.9070	0.000	1	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	122.5518	0.631	26	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	122.2748	1.528	16	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.7257	1.199	225	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	122.5523	0.708	18	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<1>}	121.3870	0.000	1	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	120.7356	0.828	16	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.4866	0.818	288	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	121.1426	0.473	23	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	120.6815	0.328	4	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	121.4882	1.443	22	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	121.4030	0.276	4	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	121.8652	1.428	255	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	122.8701	0.531	66	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	121.7652	1.293	798	121.6122	1.753	1781	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]I)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]I)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	123.2226	0.579	18	123.2226	0.336	18	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	123.1490	0.510	4	123.1166	2.320	82	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.5440	0.000	1	123.1166	2.320	82	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	124.1460	0.000	1	123.1166	2.320	82	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.4041	0.515	8	123.1166	2.320	82	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	120.9405	0.674	2	123.1166	2.320	82	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	123.6339	1.426	57	123.1166	2.320	82	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.2108	0.264	5	123.1166	2.320	82	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.7448	0.322	4	123.1166	2.320	82	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	120.5930	0.000	1	122.6862	0.798	21	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.7909	0.773	20	122.6862	0.798	21	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	121.5920	0.000	1	121.5920	0.000	1	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.0550	0.177	2	121.4738	0.622	9	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.6815	0.134	4	121.4738	0.622	9	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	121.7580	0.000	1	121.4738	0.622	9	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.6020	0.000	1	121.4738	0.622	9	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	122.0680	0.000	1	121.4738	0.622	9	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,2|P<4>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	123.3630	0.000	1	123.3630	0.000	1	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Si)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.6370	0.000	1	122.6370	0.000	1	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	123.3507	0.453	3	122.7638	2.131	10	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.5123	1.698	7	122.7638	2.131	10	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	122.6195	0.226	2	122.6195	0.051	2	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|N<2>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	120.0421	2.136	8	122.4858	41.228	14	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	125.7440	8.861	6	122.4858	41.228	14	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	123.1080	0.365	2	123.1080	0.133	2	121.8365	2.162	2270	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:I-1:	N[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(I)	N[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(I){1|C<3>,2|H<1>}	122.0699	1.204	7	122.0699	1.450	7	122.0699	1.450	7	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(N)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(N){1|C<3>,2|H<1>}	120.4350	0.000	2	120.4350	0.000	2	120.4350	0.000	2	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<3>,2|H<1>}	125.8350	0.000	1	125.8350	0.000	1	124.8337	0.753	3	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|C<3>,2|H<1>}	124.3010	0.000	1	124.3010	0.000	1	124.8337	0.753	3	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]N)(N[6]C[6]H)(S)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|S<1>}	C[6](C[6]N[6]N)(N[6]C[6]H)(S){1|C<3>,1|H<1>}	124.3650	0.000	1	124.3650	0.000	1	124.8337	0.753	3	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Se-1:	N[6](C[6]C[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(Se)	N[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Se<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(Se){1|C<3>,2|H<1>}	124.9780	0.000	1	124.9780	0.000	1	124.0415	1.754	2	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Se-1:	N[6](C[6]C[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Se)	N[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Se<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Se){1|C<3>,2|H<1>}	123.1050	0.000	1	123.1050	0.000	1	124.0415	1.754	2	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	123.1340	0.000	1	123.1340	0.000	1	122.8834	0.686	90	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){2|C<3>,2|H<1>}	121.8730	0.000	1	122.0062	0.055	5	122.8834	0.686	90	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>}	122.0395	0.256	4	122.0062	0.055	5	122.8834	0.686	90	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]F)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	122.9697	0.315	15	122.9697	0.099	15	122.8834	0.686	90	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O){1|C<3>,2|H<1>}	123.7580	0.000	1	123.7580	0.000	1	122.8834	0.686	90	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|H<1>}	124.3426	0.443	14	122.8924	0.800	67	122.8834	0.686	90	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<2>}	122.8133	0.061	3	122.8924	0.800	67	122.8834	0.686	90	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|S<1>}	122.0190	0.000	1	122.8924	0.800	67	122.8834	0.686	90	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	122.5007	0.510	49	122.8924	0.800	67	122.8834	0.686	90	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(N[6]C[6]H)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]Pt)(N[6]C[6]H)(O){1|C<3>,2|H<1>}	124.2520	0.000	1	124.2520	0.000	1	122.8834	0.686	90	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){2|C<3>,2|H<1>}	122.6920	0.000	1	123.0448	0.169	10	123.4581	0.654	32	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	122.9925	0.495	6	123.0448	0.169	10	123.4581	0.654	32	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	123.2670	0.077	3	123.0448	0.169	10	123.4581	0.654	32	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,2|H<1>}	124.3692	0.682	10	123.6589	0.809	21	123.4581	0.654	32	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|N<2>}	123.5523	0.220	3	123.6589	0.809	21	123.4581	0.654	32	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	122.7410	0.148	4	123.6589	0.809	21	123.4581	0.654	32	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,2|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|S<1>}	122.8808	0.568	4	123.6589	0.809	21	123.4581	0.654	32	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	123.3750	0.000	1	123.3750	0.000	1	123.4581	0.654	32	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H){1|C<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	126.7730	0.000	1	126.7730	0.000	1	125.9900	0.545	3	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	125.8910	0.000	1	125.8910	0.000	1	125.9900	0.545	3	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)2(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H){1|N<3>,2|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>}	125.3060	0.000	1	125.3060	0.000	1	125.9900	0.545	3	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,2|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	125.0410	0.441	2	125.0410	0.195	2	125.5705	0.923	95	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,2|O<1>}	127.6510	0.000	1	127.6510	0.000	1	125.5705	0.923	95	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	126.1050	0.337	2	126.3211	0.373	10	125.5705	0.923	95	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	126.3751	0.669	8	126.3211	0.373	10	125.5705	0.923	95	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	124.6401	0.526	35	124.6401	0.277	35	125.5705	0.923	95	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	126.3439	0.682	14	126.3817	0.349	32	125.5705	0.923	95	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	126.4112	0.528	18	126.3817	0.349	32	125.5705	0.923	95	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	125.4774	0.206	14	125.4774	0.042	14	125.5705	0.923	95	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]N[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(O){1|Ru<9>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(N[6]N[6]H)(O){1|Ru<9>,1|C<3>,1|O<1>}	124.9520	0.000	1	124.9520	0.000	1	125.5705	0.923	95	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|O<1>,1|O<2>}	125.7640	0.000	1	125.7640	0.000	1	125.8258	0.335	49	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|N<3>,1|S<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|O<1>,2|C<3>}	127.2120	0.000	1	127.2120	0.000	1	125.8258	0.335	49	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|C<4>,1|O<1>}	125.8140	0.000	1	126.1066	0.124	17	125.8258	0.335	49	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|C<4>,1|O<1>}	126.1981	0.282	7	126.1066	0.124	17	125.8258	0.335	49	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	126.1203	0.387	6	126.1066	0.124	17	125.8258	0.335	49	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	125.9633	0.528	3	126.1066	0.124	17	125.8258	0.335	49	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|C<4>,1|O<1>}	125.7050	0.483	20	125.5802	0.283	28	125.8258	0.335	49	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	125.6008	0.444	4	125.5802	0.283	28	125.8258	0.335	49	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,1|O<2>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|O<1>,1|O<2>}	124.9357	0.463	4	125.5802	0.283	28	125.8258	0.335	49	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|O<1>}	126.9850	0.000	1	126.9850	0.000	1	125.8258	0.335	49	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]N[6]H)(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]N[6])(N[6]C[6]H)(O){1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6]H)(N[6]N[6]H)(S){1|C<3>,1|O<1>}	125.4440	0.000	1	125.4440	0.000	1	125.8258	0.335	49	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:Se-1:	N[6](C[6]N[6]Se)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(Se)	N[6](C[6]N[6]Se)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|Se<1>,1|C<4>,1|N<3>}	C[6](N[6]C[6]H)2(Se){1|C<3>,1|C<4>,1|O<1>}	125.7730	0.746	10	125.7730	0.556	10	125.7730	0.556	10	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]S)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]S)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|S<1>}	125.5370	0.000	1	125.5370	0.000	1	125.5370	0.000	1	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]S)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|S<1>}	126.6658	0.984	4	126.6658	0.969	4	126.6658	0.969	4	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Co)(N[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	121.9995	0.571	2	121.9995	0.326	2	122.2468	0.196	4	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	122.4940	0.139	2	122.4940	0.019	2	122.2468	0.196	4	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|N<2>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O){1|C<3>,2|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	126.0700	0.000	1	126.0700	0.000	1	126.0700	0.000	1	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]O)2(H)	C[6](N[6]C[6]H)2(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]N[6]O)2(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|N<3>,1|O<1>}	125.0080	0.049	2	125.0080	0.002	2	125.0080	0.002	2	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]Cu)(N[6]C[6]H)(S)	C[6](N[6]C[6]H)2(S)	N[6](C[6]N[6]S)2(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6]H)(S){1|N<3>,1|S<1>,1|S<2>}	C[6](N[6]C[6]H)2(S){1|N<3>,1|S<1>,1|S<2>}	124.6020	0.000	1	124.6020	0.000	1	124.8207	0.672	50	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]H)2(S)	C[6](N[6]C[6]H)2(S)	N[6](C[6]N[6]S)2(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(S){1|N<3>,2|S<1>}	C[6](N[6]C[6]H)2(S){1|N<3>,2|S<1>}	124.8266	0.836	48	124.8266	0.700	48	124.8207	0.672	50	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(S)	C[6](N[6]C[6]H)2(S)	N[6](C[6]N[6]S)2(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(S){1|N<3>,1|S<1>,1|S<2>}	C[6](N[6]C[6]H)2(S){1|N<3>,1|S<1>,1|S<2>}	124.7530	0.000	1	124.7530	0.000	1	124.8207	0.672	50	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	N[6](C[6]C[6]H)2(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|C<4>,1|H<1>}	118.9190	0.000	1	118.5110	1.476	4	118.5110	1.476	4	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	N[6](C[6]C[6]H)2(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|N<3>}	117.5385	0.094	2	118.5110	1.476	4	118.5110	1.476	4	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	N[6](C[6]C[6]H)2(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	120.0480	0.000	1	118.5110	1.476	4	118.5110	1.476	4	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]O)(H){1|H<1>,4|C<3>}	121.1500	0.000	1	121.1500	0.000	1	121.0305	0.029	2	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.9110	0.000	1	120.9110	0.000	1	121.0305	0.029	2	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:N[6]-3:Cl-1:	N[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl)	N[6](C[6]C[6]Cl)2(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	118.8210	0.000	1	118.8210	0.000	1	118.3665	0.413	2	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:N[6]-3:Cl-1:	N[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl)	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl)	N[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	117.9120	0.000	1	117.9120	0.000	1	118.3665	0.413	2	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	118.9450	0.000	1	118.9450	0.000	1	118.9450	0.000	1	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	N[6](C[6]C[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]O)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]O)(Br){1|C<3>,2|H<1>}	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]O)(Cl)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]O)(Cl){1|C<3>,2|H<1>}	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[5a]C[6])(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.4530	0.066	2	120.4530	0.004	2	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.8965	0.838	4	120.8965	0.702	4	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.1775	0.117	2	120.0847	0.764	7	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	119.5310	0.000	2	120.0847	0.764	7	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.3920	1.352	3	120.0847	0.764	7	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	119.5663	1.441	30	119.9711	2.102	41	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	121.0133	0.812	9	119.9711	2.102	41	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	121.3535	0.237	2	119.9711	2.102	41	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]F)(N[6]C[6]O)(H)	C[6](C[6]C[6]F)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]F)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	120.5430	0.000	1	120.5430	0.000	1	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	119.7230	0.280	2	120.1003	0.691	264	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	119.9407	0.732	28	120.1003	0.691	264	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	120.5462	0.391	6	120.1003	0.691	264	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	120.4162	0.524	13	120.1003	0.691	264	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	120.6100	0.384	4	120.1003	0.691	264	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	120.1330	0.000	1	120.1003	0.691	264	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.6453	0.682	22	120.1003	0.691	264	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.0173	0.867	188	120.1003	0.691	264	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	121.6540	0.148	2	121.6540	0.022	2	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]N)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	123.1470	0.000	1	123.1470	0.000	1	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	118.3360	0.000	1	119.2878	0.542	5	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	119.5258	0.587	4	119.2878	0.542	5	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]Cl)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|Cl<1>,1|H<1>,1|N<2>}	C[6](C[6]N[6]Cl)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	119.4280	0.000	1	119.4280	0.000	1	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|N<2>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	119.1124	0.404	5	118.5683	0.396	26	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	118.4388	0.609	21	118.5683	0.396	26	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	C[6](C[6]N[6]S)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O){1|H<1>,1|N<2>,1|S<4>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]S)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	118.4480	0.000	1	118.4480	0.000	1	119.9844	1.031	355	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:I-1:	N[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(I)	N[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(I){1|C<3>,2|H<1>}	119.9780	0.826	3	118.3740	5.165	5	118.3740	5.165	5	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:I-1:	N[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(I)	N[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|I<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(I){1|C<3>,1|H<1>,1|N<3>}	115.9680	0.000	2	118.3740	5.165	5	118.3740	5.165	5	121.9493	3.476	3067	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-2:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC){1|C<3>,2|H<1>}	121.9870	0.491	2	121.9870	0.241	2	121.9870	0.241	2	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	124.8090	0.000	1	124.8090	0.000	1	123.8613	0.494	40	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	123.0405	1.043	2	123.0405	1.088	2	123.8613	0.494	40	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	124.2190	0.231	7	124.2190	0.053	7	123.8613	0.494	40	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	124.4010	0.000	1	124.4010	0.000	1	123.8613	0.494	40	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NS)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	124.1930	0.170	3	124.1930	0.029	3	123.8613	0.494	40	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC){1|C<3>,2|H<1>}	122.5315	0.217	2	122.5315	0.047	2	123.8613	0.494	40	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a])	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]){1|C<3>,2|H<1>}	122.7840	0.000	1	122.7840	0.000	1	123.8613	0.494	40	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	122.7615	0.405	2	122.7615	0.164	2	123.8613	0.494	40	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NN)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NN){1|C<3>,2|H<1>}	123.2183	0.832	3	123.2183	0.693	3	123.8613	0.494	40	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NP)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NP){1|C<3>,2|H<1>}	124.0720	0.000	1	124.0720	0.000	1	123.8613	0.494	40	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NP[6])	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NP[6]){1|C<3>,2|H<1>}	123.8350	0.000	1	123.8350	0.000	1	123.8613	0.494	40	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	123.9531	0.200	11	123.9531	0.040	11	123.8613	0.494	40	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]I)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]I)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	124.5270	0.575	5	124.5270	0.331	5	123.8613	0.494	40	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]2)(N[6]C[6]H)(N[6]C[6]){3|C<3>,3|H<1>}	119.0520	1.765	2	119.0520	3.115	2	119.0520	3.115	2	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|C<3>,2|H<1>}	122.7490	0.000	1	122.7490	0.000	1	123.6973	1.211	26	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo){1|C<3>,2|H<1>}	125.0715	0.368	2	125.0715	0.136	2	123.6973	1.211	26	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(ONi)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(ONi){1|C<3>,2|H<1>}	124.6710	0.000	1	124.6710	0.000	1	123.6973	1.211	26	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OZn)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OZn){1|C<3>,2|H<1>}	125.4175	0.554	2	125.4175	0.307	2	123.6973	1.211	26	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OFe)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OFe){1|C<3>,2|H<1>}	123.4230	0.079	4	123.4230	0.006	4	123.6973	1.211	26	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|C<3>,2|H<1>}	122.5303	0.445	6	122.5303	0.198	6	123.6973	1.211	26	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OZn)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OZn){1|C<3>,2|H<1>}	124.2173	0.735	8	124.2173	0.540	8	123.6973	1.211	26	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(OMo)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(OMo){1|C<3>,2|H<1>}	122.5595	0.540	2	122.5595	0.291	2	123.6973	1.211	26	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SMn)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SMn){1|C<3>,2|H<1>}	125.0125	0.101	2	125.0125	0.010	2	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SS)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SS){1|C<3>,2|H<1>}	123.6990	0.000	1	123.6990	0.000	1	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SC)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SC){1|C<3>,2|H<1>}	122.5362	2.897	4	122.5362	8.394	4	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCd)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SCd){1|C<3>,2|H<1>}	124.1270	0.434	3	124.1270	0.189	3	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu){1|C<3>,2|H<1>}	124.0158	0.422	6	124.0158	0.178	6	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SFe)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SFe){1|C<3>,2|H<1>}	124.0950	0.000	1	124.0950	0.000	1	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SIr)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SIr){1|C<3>,2|H<1>}	123.9110	0.000	1	123.9110	0.000	1	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SMo)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SMo){1|C<3>,2|H<1>}	124.2620	0.000	1	124.2620	0.000	1	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SPt)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SPt){1|C<3>,2|H<1>}	123.3065	0.425	2	123.3065	0.181	2	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SRe)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SRe){1|C<3>,2|H<1>}	121.8050	0.000	1	121.8050	0.000	1	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SRh)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SRh){1|C<3>,2|H<1>}	123.9030	0.000	1	123.9030	0.000	1	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SS)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SS){1|C<3>,2|H<1>}	122.5270	0.000	1	122.5270	0.000	1	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SZn)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SZn){1|C<3>,2|H<1>}	123.7730	0.023	2	123.7730	0.001	2	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(SNi)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6]H)(SNi){1|C<3>,2|H<1>}	123.0155	0.183	2	123.0155	0.034	2	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(SPd)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6]H)(SPd){1|C<3>,2|H<1>}	124.0585	1.006	2	124.0585	1.012	2	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(SPt)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6]H)(SPt){1|C<3>,2|H<1>}	122.8160	0.000	1	122.8160	0.000	1	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SFe)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]H)(SFe){1|C<3>,2|H<1>}	123.5775	0.356	2	123.5775	0.127	2	123.6099	1.419	33	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(SCu)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<2>}	C[6](N[6]C[6]H)2(SCu){1|C<3>,1|H<1>,1|O<1>}	123.1170	0.000	1	123.1170	0.000	1	122.5433	0.411	3	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(SRu)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<2>}	C[6](N[6]C[6]H)2(SRu){1|C<3>,1|H<1>,1|O<1>}	122.2565	0.573	2	122.2565	0.329	2	122.5433	0.411	3	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(SCu)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<2>}	C[6](N[6]C[6]H)2(SCu){1|C<3>,1|C<4>,1|O<1>}	125.5563	0.245	4	125.6580	0.097	5	126.0286	0.719	7	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(SCu)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6]H)2(SCu){1|C<3>,1|H<1>,1|O<1>}	126.0650	0.000	1	125.6580	0.097	5	126.0286	0.719	7	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(SRu)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6]H)2(SRu){1|C<3>,1|H<1>,1|O<1>}	126.9550	1.235	2	126.9550	1.524	2	126.0286	0.719	7	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]N[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(NO)	N[6](C[6]N[6]N)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(NO){1|N<3>,2|O<1>}	124.5040	0.000	1	124.5040	0.000	1	124.5040	0.000	1	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC)	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NC){1|C<3>,2|H<1>}	118.4900	0.000	1	118.4900	0.000	1	118.4900	0.000	1	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SC)	N[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SC){1|C<3>,2|H<1>}	120.7326	0.687	17	120.7326	0.472	17	120.7695	0.389	21	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SS)	N[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SS){1|C<3>,2|H<1>}	120.9265	0.178	4	120.9265	0.032	4	120.7695	0.389	21	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Se-2:	N[6](C[6]C[6]Se)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SeCl)	N[6](C[6]C[6]Se)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Se<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SeCl){1|C<3>,2|H<1>}	122.2800	0.000	1	122.2800	0.000	1	122.2800	0.000	1	123.2339	2.823	137	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	C[6](N[6]C[5,6]Pt)(N[6]C[6]H)(NHH)	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|N<3>}	C[6](N[6]C[5,6]Pt)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	125.8540	0.000	1	125.8540	0.000	1	125.8540	0.000	1	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<3>,1|H<1>,3|N<3>}	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	126.6200	0.000	1	126.6200	0.000	1	126.4520	0.056	2	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	C[6](N[6]C[5a,6]Pt)(N[6]C[6]H)(NHH)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6](N[6]C[5a,6]Pt)(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|O<1>}	126.2840	0.000	1	126.2840	0.000	1	126.4520	0.056	2	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(N[6]C[6]H)(CCH)	N[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]H)(N[6]C[6]H)(CCH){1|H<1>,2|C<3>}	121.5700	0.000	1	121.5700	0.000	1	121.5700	0.000	1	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	123.4737	0.035	3	123.4737	0.001	3	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	124.1360	0.119	3	124.1360	0.014	3	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	123.9640	0.000	1	123.9640	0.000	1	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	122.8820	0.531	15	122.8820	0.282	15	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	123.1955	1.419	2	123.1955	2.014	2	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	123.1115	0.224	2	122.8572	0.279	41	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	122.8408	0.545	38	122.8572	0.279	41	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	122.9710	0.000	1	122.8572	0.279	41	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	124.4855	0.117	2	124.4855	0.014	2	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	123.0634	0.471	21	123.0634	0.222	21	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	123.1960	0.000	1	123.1960	0.000	1	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	123.2780	0.000	1	123.2780	0.000	1	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6]H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	121.4630	0.000	1	121.4630	0.000	1	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	123.3025	0.095	2	123.3025	0.009	2	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	122.8955	0.608	4	122.8955	0.370	4	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	123.4877	0.999	22	123.6005	0.869	30	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	123.9105	0.675	8	123.6005	0.869	30	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCC)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCC){1|C<3>,2|H<1>}	123.6965	0.141	2	123.6965	0.020	2	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	122.4259	1.089	63	122.4259	1.186	63	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN){1|C<3>,2|H<1>}	123.6787	0.194	3	123.6787	0.037	3	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5a]H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5a]H){1|C<3>,2|H<1>}	122.4390	0.123	2	122.4390	0.015	2	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]2)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]2){1|C<3>,2|H<1>}	122.7910	0.000	1	122.7910	0.000	1	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	123.1650	0.000	1	123.1650	0.000	1	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	121.4886	1.297	25	121.4886	1.681	25	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	122.6027	0.607	101	122.6027	0.369	101	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN){1|C<3>,2|H<1>}	122.5650	0.126	2	122.5650	0.016	2	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHP)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHP){1|C<3>,2|H<1>}	123.1130	0.313	2	123.1130	0.098	2	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS){1|C<3>,2|H<1>}	122.9350	0.257	2	122.9350	0.066	2	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NZnN)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NZnN){1|C<3>,2|H<1>}	123.2490	0.454	2	123.2490	0.206	2	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	124.1115	0.755	35	124.1055	0.528	39	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	124.0523	0.470	4	124.1055	0.528	39	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	123.2470	0.565	4	123.2470	0.320	4	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(NSnH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]H)(NSnH){1|C<3>,2|H<1>}	122.6810	0.000	1	122.6810	0.000	1	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	123.1467	0.750	6	123.1467	0.562	6	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	123.0900	0.608	2	123.0900	0.370	2	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH){2|H<1>,3|C<3>}	124.0070	0.512	2	124.0070	0.262	2	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]N)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	C[6](C[6]N[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	114.8120	0.000	1	114.8120	0.000	1	122.8623	1.177	388	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-3:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu2)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu2){1|C<3>,2|H<1>}	124.2180	0.517	4	124.2180	0.267	4	124.2180	0.267	4	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](N[6]C[6]H)2(NHH)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|N<3>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	121.2460	0.000	1	121.2460	0.000	1	121.2460	0.000	1	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(NHH)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(O){1|C<4>,2|N<3>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|O<1>}	125.4850	0.000	1	125.4850	0.000	1	124.0755	0.528	6	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(NHH)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,2|N<3>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|O<1>}	123.7936	0.254	5	123.7936	0.065	5	124.0755	0.528	6	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	124.8251	0.640	33	124.8251	0.410	33	124.8251	0.410	33	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	C[6](N[6]C[6]H)2(CCC)	N[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(CCC){1|N<3>,2|O<1>}	124.6600	0.146	2	124.6600	0.021	2	124.6618	0.099	4	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]H)2(O)	C[6](N[6]C[6]H)2(CCH)	N[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(CCH){1|N<3>,2|O<1>}	124.6635	0.524	2	124.6635	0.275	2	124.6618	0.099	4	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	120.4405	0.390	12	120.4405	0.152	12	120.4482	0.140	13	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6a]H)	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6a]H){1|C<3>,2|H<1>}	120.5400	0.000	1	120.5400	0.000	1	120.4482	0.140	13	122.9960	1.631	453	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:D-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(D)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)(N[6]C[6]D)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(D){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(CH3){1|C<3>,2|H<1>}	123.6480	0.000	1	123.6480	0.000	1	123.6480	0.000	1	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(N[6]C[6]H)(CH3)	N[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	125.4210	0.000	1	125.4210	0.000	1	125.4210	0.000	1	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:B-4:	N[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(BC[6a]3)	N[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	125.0486	0.416	5	125.0486	0.173	5	125.0486	0.173	5	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	123.1839	0.340	7	123.1839	0.115	7	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	122.2057	1.879	3	122.2057	3.530	3	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	123.4584	0.551	13	123.4584	0.304	13	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH){1|C<3>,2|H<1>}	123.5020	0.000	1	123.5020	0.000	1	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|H<1>}	124.1990	0.000	1	124.1990	0.000	1	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	123.4565	1.327	15	123.4565	1.762	15	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]OO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	123.4710	0.000	1	123.4710	0.000	1	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH){1|C<3>,2|H<1>}	122.7830	0.000	1	122.7830	0.000	1	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCuCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCuCH){1|C<3>,2|H<1>}	123.0750	0.000	1	123.0750	0.000	1	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	123.3297	0.567	26	123.3297	0.322	26	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	123.0164	0.859	76	123.0164	0.737	76	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	123.4025	0.398	2	123.4025	0.158	2	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	122.9380	0.000	2	122.9380	0.000	2	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	123.4200	0.536	4	123.4200	0.287	4	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO){1|C<3>,2|H<1>}	122.9670	0.000	1	122.9670	0.000	1	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	123.1990	0.007	2	123.1990	0.000	2	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	122.7645	0.398	2	122.7645	0.158	2	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	123.9880	0.000	1	123.9880	0.000	1	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	123.9140	0.000	1	123.9140	0.000	1	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	122.8970	0.822	2	122.8970	0.675	2	123.1698	0.699	162	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3){1|C<3>,2|H<1>}	124.4650	0.082	2	124.4650	0.007	2	123.3992	0.955	6	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,2|H<1>}	122.8663	0.673	4	122.8663	0.453	4	123.3992	0.955	6	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-4:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SO3)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SO3){1|C<3>,2|H<1>}	123.9680	0.000	2	123.9680	0.000	2	123.9680	0.000	2	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(CCCH)	N[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|C<4>}	C[6](N[6]C[6]H)2(CCCH){1|C<3>,1|C<4>,1|O<1>}	124.6175	0.104	2	124.6175	0.011	2	124.3230	0.266	3	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(CH3)	N[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|C<4>}	C[6](N[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|O<1>}	123.7340	0.000	1	123.7340	0.000	1	124.3230	0.266	3	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]N[6,6]S)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(S)	C[6](C[6]C[6,6]C)(N[6]C[6]H)(CH3)	N[6](C[6]N[6,6]S)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]H)(S){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	125.3450	0.000	1	125.3450	0.000	1	125.3450	0.000	1	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6,6a]H)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6,6a]H)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(CH3){1|H<1>,2|C<3>}	121.7660	0.000	1	121.7660	0.000	1	121.7660	0.000	1	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	122.0870	0.000	1	122.0870	0.000	1	120.9853	1.345	33	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	121.0290	0.914	4	121.0290	0.836	4	120.9853	1.345	33	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6]3)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6]3){1|C<3>,2|H<1>}	121.1320	0.000	1	121.1320	0.000	1	120.9853	1.345	33	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	121.7809	0.756	12	121.7809	0.572	12	120.9853	1.345	33	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN){1|C<3>,2|H<1>}	120.0270	0.000	1	120.0270	0.000	1	120.9853	1.345	33	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHO)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHO){1|C<3>,2|H<1>}	119.7208	0.817	9	119.7208	0.668	9	120.9853	1.345	33	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,2|H<1>}	121.3445	1.309	2	121.3445	1.713	2	120.9853	1.345	33	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHS)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHS){1|C<3>,2|H<1>}	120.5380	0.033	2	120.5380	0.001	2	120.9853	1.345	33	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	122.5310	0.000	1	122.5310	0.000	1	120.9853	1.345	33	122.9244	1.595	215	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<1>}	127.2990	0.421	2	127.2990	0.178	2	127.2990	0.178	2	125.7021	3.965	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]HW)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	122.2370	0.000	1	122.2370	0.000	1	121.9140	0.209	2	125.7021	3.965	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]Ni)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H){1|Ni<5>,1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|Ni<5>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]Ni)(N[6]C[6]H)(H){2|H<1>,3|C<3>}	121.5910	0.000	1	121.5910	0.000	1	121.9140	0.209	2	125.7021	3.965	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	122.3710	0.000	1	122.3710	0.000	1	122.3710	0.000	1	125.7021	3.965	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5])(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5])(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|H<1>}	127.6865	0.185	2	127.6865	0.034	2	127.6865	0.034	2	125.7021	3.965	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:N[6]-3:S-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]N[5,6]S)(C[6]C[6]O)(H)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]H)(S)	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O)	N[6](C[6]N[5,6]S)(C[6]C[6]O)(H){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]H)(S){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	126.2780	0.816	2	126.2780	0.666	2	126.2780	0.666	2	125.7021	3.965	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[5,6]C[5])(N[6]C[6]H)(O)	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	C[6](N[6]C[5,6]C[5])(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	126.4110	0.000	1	126.4110	0.000	1	126.0726	0.665	7	125.7021	3.965	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	C[6](C[6]C[6]CO)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|O<2>,3|C<4>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	126.5855	0.653	2	126.5855	0.426	2	126.0726	0.665	7	125.7021	3.965	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|N<3>}	125.9380	0.000	1	125.4143	0.626	3	126.0726	0.665	7	125.7021	3.965	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	125.1525	0.917	2	125.4143	0.626	3	126.0726	0.665	7	125.7021	3.965	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,2|C<3>,2|O<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	126.6830	0.000	1	126.6830	0.000	1	126.0726	0.665	7	125.7021	3.965	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:N-2:	N[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a])	N[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a]){1|O<1>,4|C<3>}	125.1110	0.000	1	125.1110	0.000	1	125.1110	0.000	1	125.1110	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:N-2:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO){1|Cd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	123.1960	1.300	4	123.9518	1.437	8	123.9518	1.437	8	123.8796	1.092	17	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:N-2:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	124.7075	0.375	4	123.9518	1.437	8	123.9518	1.437	8	123.8796	1.092	17	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:O-2:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>}	124.5740	0.404	4	124.5740	0.164	4	124.5740	0.164	4	123.8796	1.092	17	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:S-2:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SFe)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SFe){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<2>}	123.6830	0.000	1	123.6830	0.000	1	122.9900	0.960	2	123.8796	1.092	17	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:S-2:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SRu)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SRu){1|C<2>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<2>}	122.2970	0.000	1	122.2970	0.000	1	122.9900	0.960	2	123.8796	1.092	17	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-2:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	122.9480	0.764	2	122.9480	0.583	2	123.3547	0.788	3	123.8796	1.092	17	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-2:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NO)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NO){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	124.1680	0.000	1	124.1680	0.000	1	123.3547	0.788	3	123.8796	1.092	17	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	2:3:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:O-2:	N[6]-2:N[6]-3:N-3:	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu)	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH)	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(OCu){1|Cu<5>,1|C<3>,1|N<2>,2|N<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<2>}	126.9030	0.000	1	126.9030	0.000	1	126.9030	0.000	1	123.1134	5.286	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	2:3:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:S-2:	N[6]-2:N[6]-3:N-3:	N[6](C[6]C[5,6]S)(C[6]N[6]N)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SCo)	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH)	N[6](C[6]C[5,6]S)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(SCo){1|C<3>,1|N<2>,2|N<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|S<2>}	122.0310	2.002	6	122.0310	4.007	6	122.0310	4.007	6	123.1134	5.286	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	2:3:3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:O-2:	N[6]-2:N[6]-3:N-3:	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(OCa)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(OCa){1|C<3>,1|N<2>,2|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<2>}	124.7980	0.174	2	124.7980	0.030	2	124.7980	0.030	2	123.1134	5.286	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	2:3:3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:S-2:	N[6]-2:N[6]-3:N-3:	N[6](C[6]C[5a,6]S)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(SRu)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	N[6](C[6]C[5a,6]S)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(SRu){1|C<3>,1|N<3>,2|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|S<2>}	122.4490	0.000	1	122.4490	0.000	1	122.4490	0.000	1	123.1134	5.286	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|N<2>,1|O<2>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,2|O<2>}	120.0340	0.000	1	120.0340	0.000	1	120.0340	0.000	1	123.7140	10.200	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu)	C[6](N[6]C[6]H)(N[6]C[6])(SCu)	N[6](C[6]C[6]S)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu){1|H<1>,1|N<2>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(SCu){1|C<3>,1|H<1>,1|S<2>}	125.5540	0.293	2	125.5540	0.086	2	125.5540	0.086	2	123.7140	10.200	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|N<2>,1|N<3>,1|O<2>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|O<2>}	120.2447	0.404	21	120.2447	0.163	21	120.2447	0.163	21	120.1270	0.231	25	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6a]N[6])(C[6]N[6]N)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6a]N[6])(C[6]N[6]N)(H){3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	119.5093	0.396	4	119.5093	0.157	4	119.5093	0.157	4	120.1270	0.231	25	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6]H)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	122.0840	0.000	1	122.0840	0.000	1	122.0840	0.000	1	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]N[6])(N[6]C[6]H)(OCo)	C[6](N[6]C[6,6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(N[6]C[6]H)(OCo){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6,6]C)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<2>}	126.7590	0.000	1	126.7590	0.000	1	126.7590	0.000	1	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|O<2>,2|C<3>}	121.4640	0.000	1	121.4640	0.000	1	121.4640	0.000	1	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	122.7350	0.000	1	122.7350	0.000	1	123.0653	0.103	3	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	123.2305	0.206	2	123.2305	0.042	2	123.0653	0.103	3	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	125.0120	0.000	1	125.0120	0.000	1	124.9118	0.094	5	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<2>}	124.8057	0.378	3	124.8057	0.143	3	124.9118	0.094	5	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NPt)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NPt){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	125.1300	0.000	1	125.1300	0.000	1	124.9118	0.094	5	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]N)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]N)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,1|N<2>}	125.0907	0.298	3	125.0907	0.089	3	125.0907	0.089	3	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:Cl-1:	N[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	N[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	122.2800	0.000	1	122.2800	0.000	1	122.2800	0.000	1	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	121.6497	1.001	3	121.6497	1.002	3	121.6497	1.002	3	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>}	126.6660	0.150	2	126.6660	0.022	2	126.7488	0.100	4	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OFe)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OFe){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>}	126.4770	0.000	1	126.4770	0.000	1	126.7488	0.100	4	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OMn)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OMn){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>}	127.1860	0.000	1	127.1860	0.000	1	126.7488	0.100	4	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(OH)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|O<1>,1|O<2>}	125.3260	0.000	1	125.3260	0.000	1	124.8900	0.187	11	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|O<1>,1|O<2>}	124.9645	0.060	2	124.9408	0.256	4	124.8900	0.187	11	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa){1|N<3>,1|O<2>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,2|O<2>}	124.9170	0.873	2	124.9408	0.256	4	124.8900	0.187	11	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|O<1>,1|O<2>}	125.2535	0.342	2	124.7835	0.167	6	124.8900	0.187	11	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi){1|N<3>,1|O<2>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,2|O<2>}	124.5485	0.137	4	124.7835	0.167	6	124.8900	0.187	11	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SNi)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]H)(SNi){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|S<2>}	122.7078	0.718	4	122.7078	0.516	4	121.9483	1.868	6	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SPd)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]H)(SPd){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|S<2>}	121.0900	0.000	1	121.0900	0.000	1	121.9483	1.868	6	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SPt)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]H)(SPt){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|S<2>}	119.7690	0.000	1	119.7690	0.000	1	121.9483	1.868	6	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(N[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(N[6]C[6]H)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	121.4397	0.306	3	121.4397	0.094	3	121.4397	0.094	3	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	121.0415	1.288	2	121.0415	1.658	2	121.0415	1.658	2	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(SZn)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(SZn){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|S<2>,2|N<3>}	122.2530	0.000	1	122.2530	0.000	1	122.2530	0.000	1	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]Cu)(N[6]C[6]H)(SCu)	C[6](N[6]C[6]H)2(S)	N[6](C[6]N[6]S)2(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6]H)(SCu){1|N<3>,2|S<1>}	C[6](N[6]C[6]H)2(S){1|N<3>,1|S<1>,1|S<2>}	123.6200	0.000	1	123.6200	0.000	1	123.1260	0.488	2	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]N[6]S)2(H)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(SZn)	C[6](N[6]C[6]H)2(S)	N[6](C[6]N[6]S)2(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(SZn){1|N<3>,2|S<1>}	C[6](N[6]C[6]H)2(S){1|N<3>,1|S<1>,1|S<2>}	122.6320	0.000	1	122.6320	0.000	1	123.1260	0.488	2	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>}	121.0900	0.000	1	121.0900	0.000	1	121.0900	0.000	1	123.6466	3.673	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-2:	C[6]-3:N[6]-3:C-2:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC){1|C<2>,1|C<3>,1|H<1>}	123.2165	0.278	2	123.2165	0.077	2	123.2165	0.077	2	122.9028	11.253	12	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	N[6](C[6]C[6]N)2(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	125.5570	0.888	2	125.5570	0.789	2	125.4830	0.255	5	122.9028	11.253	12	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5])	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5])	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	125.7320	0.000	1	125.7320	0.000	1	125.4830	0.255	5	122.9028	11.253	12	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|H<1>,1|N<2>}	125.2845	0.281	2	125.2845	0.079	2	125.4830	0.255	5	122.9028	11.253	12	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])2(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])2(H){1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]N[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]N[6]){1|N<2>,2|H<1>,4|C<3>}	114.5820	0.000	1	114.5820	0.000	1	120.1363	24.687	3	122.9028	11.253	12	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])2(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	N[6](C[6]C[6a]N[6])2(H){1|S<3>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	124.1580	0.000	1	122.9135	3.098	2	120.1363	24.687	3	122.9028	11.253	12	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])2(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	N[6](C[6]C[6a]N[6])2(H){1|S<3>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	121.6690	0.000	1	122.9135	3.098	2	120.1363	24.687	3	122.9028	11.253	12	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[5a]-3:N[6]-3:N[6]-2:	N[5a]-3:N[6]-3:N[6]-2:	N[6](C[6]N[5a]N[6])2(H)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6])	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6])	N[6](C[6]N[5a]N[6])2(H){1|P<4>,2|C<3>,2|N<2>}	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	121.5530	0.000	1	121.5530	0.000	1	121.5530	0.000	1	122.9028	11.253	12	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N[6]-2:	N[6]-3:N[6]-3:N[6]-2:	N[6](C[6]N[6]2)2(H)	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]N[6]2)2(H){1|C<3>,4|C<4>}	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	119.0240	0.000	1	119.0240	0.000	1	119.0240	0.000	1	122.9028	11.253	12	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SC[6a])	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<4>,2|C<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SC[6a]){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|H<1>,1|S<2>,2|C<3>}	121.8400	0.000	1	121.8400	0.000	1	121.8400	0.000	1	121.8400	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:C-4:	N[6](C[6]N[5a]N[6])(C[6]C[6]C)(H)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	N[6](C[6]N[5a]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<2>,1|N<3>,1|O<2>}	119.9060	0.040	2	119.9060	0.002	2	119.9060	0.002	2	119.9060	0.002	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6])	C[6](C[6]O[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6]H)(O){1|C<3>,1|N<2>}	121.0670	0.000	1	121.0670	0.000	1	121.0670	0.000	1	121.0670	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:N-3:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	124.0485	0.237	2	124.0352	0.049	4	124.0352	0.049	4	123.6342	0.717	64	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:N[6]-3:N-3:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH)	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NHH){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	124.0220	0.300	2	124.0352	0.049	4	124.0352	0.049	4	123.6342	0.717	64	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	123.7225	0.223	2	123.8857	0.105	3	123.6963	0.410	58	123.6342	0.717	64	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	124.2120	0.000	1	123.8857	0.105	3	123.6963	0.410	58	123.6342	0.717	64	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	123.5794	0.644	43	123.6811	0.433	54	123.6963	0.410	58	123.6342	0.717	64	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	124.0786	0.579	11	123.6811	0.433	54	123.6963	0.410	58	123.6342	0.717	64	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NPtH)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NPtH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	123.9470	0.000	1	123.9470	0.000	1	123.6963	0.410	58	123.6342	0.717	64	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:S-3:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(SCu2)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(SCu2){1|C<3>,1|H<1>,2|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<3>}	122.9400	0.000	1	122.9400	0.000	1	122.9400	0.000	1	123.6342	0.717	64	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:C-3:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[6,6a]C)(C[6]N[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CC[6a]O)	C[6](N[6]C[6,6a])(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]C)(C[6]N[6]H)(O){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]O)(H){3|C<3>}	119.1240	0.000	1	119.1240	0.000	1	119.1240	0.000	1	123.6342	0.717	64	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-2:N[6]-3:N-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NCH)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(NCH){1|C<3>,2|N<3>}	124.0120	0.000	1	124.0120	0.000	1	124.1720	0.562	3	123.7180	1.684	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-2:N[6]-3:N-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,2|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|C<3>,2|N<3>}	124.2520	1.042	2	124.2520	1.086	2	124.1720	0.562	3	123.7180	1.684	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	N[6]-2:N[6]-3:N-3:	N[6](C[6]C[6,6a]N)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	C[6](N[6]C[6,6a])(N[6]C[6]H)(NHH)	N[6](C[6]C[6,6a]N)(C[6]N[6]N)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){1|N<2>,1|O<1>,3|N<3>}	C[6](N[6]C[6,6a])(N[6]C[6]H)(NHH){1|C<3>,2|N<3>}	121.6110	0.000	1	121.6110	0.000	1	121.6110	0.000	1	123.7180	1.684	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6]-3:O-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-2:N[6]-3:N-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(O){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){1|N<3>,1|O<2>,2|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH){1|C<3>,1|N<2>,1|N<3>}	124.4630	0.000	1	124.4630	0.000	1	124.4630	0.000	1	123.7180	1.684	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:4:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-2:N[6]-3:C-4:	N[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6](N[6]C[6,6a])(N[6]C[6]O)(CClHH)	N[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(O){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6]O)(CClHH){3|C<3>}	119.1350	0.000	1	119.1350	0.000	1	119.1350	0.000	1	119.1350	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|N<2>,2|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|O<1>,2|C<3>}	123.5400	0.000	1	123.5400	0.000	1	123.5400	0.000	1	122.8823	0.755	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6]N)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6]N)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<2>,1|S<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,1|H<1>,1|N<3>}	124.3160	0.000	1	122.7508	0.814	5	122.7508	0.814	5	122.8823	0.755	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6]N)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6]N)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,2|N<3>}	122.3595	0.253	4	122.7508	0.814	5	122.7508	0.814	5	122.8823	0.755	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<3>,2|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|N<3>}	120.6140	0.000	2	120.6140	0.000	2	120.6140	0.000	2	120.6140	0.000	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Cl<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	121.7220	0.188	4	121.1536	0.393	8	121.1536	0.393	8	121.1228	0.311	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	120.5853	0.143	4	121.1536	0.393	8	121.1536	0.393	8	121.1228	0.311	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N[6])(C[6]N[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]N[6])(C[6]N[6]N)(H){1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]H){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	120.9320	0.000	1	120.9320	0.000	1	120.9320	0.000	1	121.1228	0.311	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6a]C[6])(C[6]N[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6a]C[6])(C[6]N[6]N)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){3|C<3>}	121.0670	0.000	1	121.0670	0.000	1	121.0670	0.000	1	121.1228	0.311	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,2|N<3>}	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	122.3880	0.000	1	122.3880	0.000	1	119.1887	11.249	3	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	117.5890	2.673	2	117.5890	7.144	2	119.1887	11.249	3	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a,6]C)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(COO)	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H){1|N<3>,2|C<3>}	124.0650	0.000	1	124.0650	0.000	1	124.0650	0.000	1	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]N)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>}	127.2355	1.036	2	127.2355	1.073	2	127.2355	1.073	2	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	122.7785	1.488	6	122.8951	1.743	8	122.5193	2.447	21	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	122.6090	0.000	1	122.8951	1.743	8	122.5193	2.447	21	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.8810	0.000	1	122.8951	1.743	8	122.5193	2.447	21	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	122.5500	0.000	1	122.2233	3.114	12	122.5193	2.447	21	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	121.8834	1.633	5	122.2233	3.114	12	122.5193	2.447	21	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.3330	0.000	1	122.2233	3.114	12	122.5193	2.447	21	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.2628	0.854	4	122.2233	3.114	12	122.5193	2.447	21	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	118.3290	0.000	1	122.2233	3.114	12	122.5193	2.447	21	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.0650	0.000	1	123.0650	0.000	1	122.5193	2.447	21	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5a]C[6])(C[6]N[6]O)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[5a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[6]C[6]H)2(O){1|H<1>,3|C<3>}	123.5010	0.000	1	123.5010	0.000	1	123.5010	0.000	1	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]2)(N[6]C[6]H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]2)(N[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){3|C<3>}	123.4830	0.000	1	123.4830	0.000	1	123.3787	0.090	3	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]H)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){3|C<3>}	123.3265	0.405	2	123.3265	0.164	2	123.3787	0.090	3	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]N)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]N)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|N<3>,2|C<3>}	123.6540	0.795	2	123.6540	0.632	2	123.6540	0.632	2	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6,6a]N)(C[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH)	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(S)	N[6](C[6]C[6,6a]N)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NHH){1|C<3>,1|O<1>,1|S<1>,2|N<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(S){1|C<3>,2|N<3>}	124.8020	0.000	2	124.8020	0.000	2	124.8020	0.000	2	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.3855	0.004	2	123.3855	0.000	2	122.2958	4.571	42	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.0460	0.000	1	122.9685	0.022	4	122.2958	4.571	42	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){1|S<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.0030	0.188	2	122.9685	0.022	4	122.2958	4.571	42	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	122.8220	0.000	1	122.9685	0.022	4	122.2958	4.571	42	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	121.9290	0.117	2	122.0598	5.504	33	122.2958	4.571	42	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.1140	0.000	1	122.0598	5.504	33	122.2958	4.571	42	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	121.9682	2.473	29	122.0598	5.504	33	122.2958	4.571	42	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){3|C<3>}	123.9240	0.000	1	122.0598	5.504	33	122.2958	4.571	42	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.8915	0.016	2	123.8915	0.000	2	122.2958	4.571	42	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	122.0220	0.000	1	122.0220	0.000	1	122.2958	4.571	42	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(H)	C[6](C[6]N[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,4|C<3>}	123.6640	0.000	1	123.6640	0.000	1	123.6640	0.000	1	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[5,6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6])(C[6]N[5,6]S)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(N[6]C[6]H)(S)	N[6](C[6]C[6a]C[6])(C[6]N[5,6]S)(H){1|C<4>,1|N<2>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6]H)(S){1|C<4>,1|H<1>,3|C<3>}	124.8610	0.000	1	124.8610	0.000	1	124.8610	0.000	1	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.4810	0.000	1	123.4810	0.000	1	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	124.4670	0.000	1	124.4670	0.000	1	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.4705	0.515	2	123.4705	0.266	2	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.1670	0.888	9	123.1670	0.788	9	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.3586	0.601	14	123.3586	0.361	14	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	120.8153	2.557	4	120.8153	6.540	4	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	124.1660	0.000	1	124.1660	0.000	1	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5a]2)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.4270	0.000	1	123.4270	0.000	1	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.2990	0.417	3	123.2990	0.174	3	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	122.4070	0.000	1	122.4070	0.000	1	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClO)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CClO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	121.6530	0.000	1	121.6530	0.000	1	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	122.7351	0.578	14	122.7351	0.334	14	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.5160	0.000	1	123.5160	0.000	1	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<2>,2|C<3>}	121.9930	0.396	3	122.7041	0.435	8	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.1308	0.276	5	122.7041	0.435	8	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]O)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0875	3.041	2	120.0875	9.249	2	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	121.7390	0.000	1	122.2593	2.000	24	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	122.2819	1.441	23	122.2593	2.000	24	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	122.6010	0.000	1	122.6010	0.000	1	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.7347	0.213	3	123.7347	0.045	3	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]P)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	122.7790	0.000	1	122.7790	0.000	1	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	124.9620	0.000	1	124.9620	0.000	1	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]Cl)(N[6]C[6]H)(CCC)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>}	C[6](C[6]N[6]Cl)(N[6]C[6]H)(CCC){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){2|C<3>}	124.2810	0.000	1	124.2810	0.000	1	122.7541	1.673	94	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHH)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<4>,2|C<3>}	125.1220	0.000	1	125.1220	0.000	1	125.1220	0.000	1	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:Br-1:	N[6](C[6]C[6]Br)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|H<1>,1|N<3>}	121.8332	1.517	6	121.8332	2.302	6	121.8332	2.302	6	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:Cl-1:	N[6](C[6]C[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	N[6](C[6]C[6]Cl)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	121.7250	0.000	1	121.7250	0.000	1	121.7250	0.000	1	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	121.9810	0.436	45	121.9810	0.190	45	121.9268	0.435	62	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NC[3]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NC[3]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	121.7780	0.000	1	121.7780	0.000	1	121.9268	0.435	62	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	122.8460	0.000	1	122.8460	0.000	1	121.9268	0.435	62	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]C)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|N<3>}	122.5135	0.259	8	122.5135	0.067	8	121.9268	0.435	62	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<2>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|N<3>}	120.6378	0.892	6	120.7983	0.844	7	121.9268	0.435	62	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|N<3>}	121.7610	0.000	1	120.7983	0.844	7	121.9268	0.435	62	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]N)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|S<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<3>,2|N<3>}	123.7375	0.678	2	123.7375	0.460	2	123.7375	0.460	2	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	126.3250	0.000	1	126.3250	0.000	1	124.4115	0.761	75	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	124.7405	0.767	15	124.7405	0.588	15	124.4115	0.761	75	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	124.5750	0.000	1	124.5750	0.000	1	124.4115	0.761	75	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	125.0831	0.662	9	125.0831	0.438	9	124.4115	0.761	75	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	124.1103	0.784	48	124.1103	0.615	48	124.4115	0.761	75	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NRuH)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NRuH){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	125.8160	0.000	1	125.8160	0.000	1	124.4115	0.761	75	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	123.7860	0.000	1	123.7860	0.000	1	123.1745	0.748	2	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.5630	0.000	1	122.5630	0.000	1	123.1745	0.748	2	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]N[6]S)(N[6]C[6]H)(SFe2)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<3>}	C[6](C[6]N[6]S)(N[6]C[6]H)(SFe2){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|S<3>}	120.6835	0.233	2	120.6835	0.054	2	120.6835	0.054	2	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[3x6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[3x6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H)	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	123.1070	0.575	7	123.1070	0.331	7	123.1070	0.331	7	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:Br-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	N[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|H<1>,2|C<3>}	124.8010	0.000	1	124.8010	0.000	1	124.8010	0.000	1	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.6950	0.000	1	123.4468	0.382	5	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.9900	0.000	1	123.4468	0.382	5	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.1830	0.694	3	123.4468	0.382	5	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.7100	0.000	1	122.4177	1.662	3	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	122.4110	0.000	1	122.4177	1.662	3	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	121.1320	0.000	1	122.4177	1.662	3	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	122.7261	0.702	12	123.1172	1.143	106	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	117.4130	0.000	1	123.1172	1.143	106	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	122.2511	0.584	17	123.1172	1.143	106	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|S<1>,2|C<3>}	121.2860	0.000	1	123.1172	1.143	106	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.4765	0.813	75	123.1172	1.143	106	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	124.8945	0.493	2	124.7277	0.205	3	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	124.3940	0.000	1	124.7277	0.205	3	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.6220	0.000	1	123.6220	0.000	1	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	122.4530	0.231	2	122.1485	0.241	17	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	123.0280	0.000	1	122.1485	0.241	17	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	122.0421	0.455	14	122.1485	0.241	17	123.0314	1.150	135	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|H<1>,2|C<3>}	125.9283	0.799	3	125.9283	0.639	3	125.9283	0.639	3	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](N[6]C[6]H)2(O){1|H<1>,3|C<3>}	123.3522	0.186	4	123.1566	0.217	5	123.1566	0.217	5	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|H<1>,3|C<3>}	122.3740	0.000	1	123.1566	0.217	5	123.1566	0.217	5	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	C[6](N[6]C[6]H)2(S){1|H<1>,3|C<3>}	123.2397	0.486	3	123.2397	0.237	3	123.2397	0.237	3	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](NC[6a]C[3])(C[6]C[6]N)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](NC[6a]C[3])(C[6]C[6]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	123.3340	0.000	1	123.3340	0.000	1	123.3340	0.000	1	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]In[5,5])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|In<6>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]In[5,5])(C[6]C[6]H)(N[6]C[6]H){3|Cl<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	124.2370	0.000	1	124.2370	0.000	1	124.2370	0.000	1	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	120.5810	0.000	1	120.5810	0.000	1	120.5810	0.000	1	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){3|N<3>}	124.1650	0.000	1	124.1650	0.000	1	123.3885	0.202	6	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){3|N<3>}	123.2198	0.307	4	123.2198	0.095	4	123.3885	0.202	6	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){3|N<3>}	123.2870	0.000	1	123.2870	0.000	1	123.3885	0.202	6	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:S-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Cu)(N[6]C[6]H)(SCu2)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(N[6]C[6]H)(SCu2){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<3>}	121.5130	0.000	1	121.5130	0.000	1	121.5130	0.000	1	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	118.4950	0.643	2	118.4950	0.414	2	118.2187	0.436	3	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]O)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|N<2>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]N[6]H)(N[6]C[6]O){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){2|C<3>}	117.6660	0.000	1	117.6660	0.000	1	118.2187	0.436	3	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.9853	0.430	3	120.9853	0.185	3	120.6568	0.555	4	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	119.6710	0.000	1	119.6710	0.000	1	120.6568	0.555	4	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[5]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[5])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]C[6]O)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]2)(N[6]C[6]O){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H){3|C<3>}	120.3310	0.000	1	120.3310	0.000	1	120.3310	0.000	1	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){1|I<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H){3|C<3>}	120.3960	0.000	1	120.3043	0.122	3	120.5162	0.261	4	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H){3|C<3>}	119.9180	0.000	1	120.3043	0.122	3	120.5162	0.261	4	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]O){2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H){3|C<3>}	120.5990	0.000	1	120.3043	0.122	3	120.5162	0.261	4	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O){2|Br<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H){3|C<3>}	121.1520	0.000	1	121.1520	0.000	1	120.5162	0.261	4	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<4>,2|C<3>}	118.7980	0.000	1	119.8552	0.372	6	119.7369	0.460	19	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.0533	0.415	4	119.8552	0.372	6	119.7369	0.460	19	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.1200	0.000	1	119.8552	0.372	6	119.7369	0.460	19	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.6000	0.000	1	120.6000	0.000	1	119.7369	0.460	19	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.1135	0.030	2	120.1135	0.001	2	119.7369	0.460	19	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	119.5979	0.705	9	119.5044	0.529	10	119.7369	0.460	19	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	118.6630	0.000	1	119.5044	0.529	10	119.7369	0.460	19	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(O){1|C<4>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){1|H<1>,4|C<3>}	120.3560	0.000	1	120.3560	0.000	1	120.3560	0.000	1	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[5]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]N[5])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]N[5])(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|N<3>}	120.8670	0.000	1	120.8670	0.000	1	120.8670	0.000	1	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.6575	0.179	2	121.6575	0.032	2	120.5248	1.625	9	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCO)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	118.7080	0.550	2	118.7080	0.303	2	120.5248	1.625	9	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[5]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[5]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	119.3180	0.000	1	119.3180	0.000	1	120.5248	1.625	9	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|N<3>,2|C<3>}	121.0675	0.429	2	121.1685	0.127	4	120.5248	1.625	9	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.5500	0.000	1	121.1685	0.127	4	120.5248	1.625	9	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){3|C<3>}	120.9890	0.000	1	121.1685	0.127	4	120.5248	1.625	9	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.2100	0.000	1	120.7613	0.241	3	120.6078	0.330	12	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O){4|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,3|C<3>}	121.0370	0.164	2	120.7613	0.241	3	120.6078	0.330	12	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.5330	0.000	1	120.4035	0.034	2	120.6078	0.330	12	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.2740	0.000	1	120.4035	0.034	2	120.6078	0.330	12	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.6795	0.886	4	120.6795	0.786	4	120.6078	0.330	12	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.8730	0.000	1	120.8730	0.000	1	120.6078	0.330	12	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]Pt)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]Pt)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.3060	0.577	2	120.3060	0.333	2	120.6078	0.330	12	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	N[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	119.5590	0.000	1	118.9700	0.290	3	118.9700	0.290	3	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	N[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	118.6755	0.243	2	118.9700	0.290	3	118.9700	0.290	3	122.6801	2.876	545	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<3>}	123.5903	0.087	3	123.5903	0.008	3	124.1416	0.171	11	123.9968	1.215	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|H<1>,1|N<3>}	124.3484	0.252	8	124.3484	0.063	8	124.1416	0.171	11	123.9968	1.215	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-2:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CW)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CW){1|H<1>,2|C<3>}	124.6730	0.000	1	124.6730	0.000	1	124.6730	0.000	1	123.9968	1.215	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu)	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu){1|H<1>,2|C<3>}	125.1880	0.000	1	125.1880	0.000	1	125.1880	0.000	1	123.9968	1.215	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){3|N<3>}	120.5360	0.000	1	120.5360	0.000	1	120.5360	0.000	1	123.9968	1.215	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[5a]C[6])2(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	N[6](C[6]C[5a]C[6])2(H){1|C<4>,2|C<2>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	123.1630	0.000	1	123.1630	0.000	1	123.6510	0.476	2	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[5a]C[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H)	N[6](C[6]C[5a]C[6])2(H){1|S<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	124.1390	0.000	1	124.1390	0.000	1	123.6510	0.476	2	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[5a]C[6])(C[6]C[6a]C[6])(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[5a]C[6])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,5|C<3>}	122.2920	0.000	2	122.2920	0.000	2	122.2920	0.000	2	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]2)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]2)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	118.9210	0.000	1	118.9210	0.000	1	120.7990	7.054	2	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]2)2(H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	N[6](C[6]C[6]2)2(H){1|S<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	122.6770	0.000	1	122.6770	0.000	1	120.7990	7.054	2	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){3|C<3>}	119.1860	0.000	1	119.1860	0.000	1	119.1860	0.000	1	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]S[6]C)(N[6]C[6]H)	N[6](C[6]C[6a]C[6])(C[6]C[6]2)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]C)(N[6]C[6]H){2|H<1>,2|O<1>,4|C<3>}	123.4825	0.009	2	123.4825	0.000	2	123.4825	0.000	2	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[6]-3:	C[6]-3:N[5]-3:N[6]-3:	N[6](C[6]C[6]N[5])2(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	N[6](C[6]C[6]N[5])2(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	122.9720	0.000	1	122.9720	0.000	1	122.9720	0.000	1	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|H<1>,2|C<3>}	123.8000	0.000	1	123.8000	0.000	1	122.2519	7.282	11	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|H<1>,2|C<3>}	122.4940	4.002	5	122.0971	7.798	10	122.2519	7.282	11	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|O<2>,2|C<3>}	121.7002	1.064	5	122.0971	7.798	10	122.2519	7.282	11	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(COO)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[5,6]C)(N[6]C[6]H)(COO){1|N<3>,3|C<3>}	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H){4|C<3>}	120.0500	0.000	1	120.0500	0.000	1	120.0500	0.000	1	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]N)2(H){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	125.3393	0.814	7	125.3393	0.662	7	123.8303	0.696	65	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]N)2(H){1|Br<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>}	122.9130	0.000	1	122.9130	0.000	1	123.8303	0.696	65	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	122.8923	0.128	3	122.8923	0.016	3	123.8303	0.696	65	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	120.3990	0.000	1	120.3990	0.000	1	123.8303	0.696	65	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	123.7500	0.412	48	123.7500	0.170	48	123.8303	0.696	65	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	123.9204	0.500	5	123.9204	0.250	5	123.8303	0.696	65	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]H)2(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<3>,1|O<1>}	121.0230	0.000	1	121.0230	0.000	1	121.5918	0.668	27	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]H)2(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,2|N<3>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<2>,1|N<3>}	121.3690	0.000	1	121.4597	0.558	23	121.5918	0.668	27	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]H)2(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<3>,1|O<1>}	122.3148	0.228	4	121.4597	0.558	23	121.5918	0.668	27	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]H)2(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){3|N<3>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,2|N<3>}	121.2747	0.710	18	121.4597	0.558	23	121.5918	0.668	27	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]H)2(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|N<3>,1|O<1>}	122.7270	0.000	1	122.7270	0.000	1	121.5918	0.668	27	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH)	C[6](N[6]C[6]H)2(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH){1|C<4>,2|C<3>,2|N<3>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|N<3>}	122.8275	0.175	2	122.8275	0.031	2	121.5918	0.668	27	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6]N[6])2(H)	C[6](C[6]C[6]2)(N[6]C[6]H)2	C[6](C[6]C[6]2)(N[6]C[6]H)2	N[6](C[6]C[6]N[6])2(H){2|H<1>,5|C<3>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|O<1>}	123.7697	0.178	3	123.7355	0.026	6	123.7355	0.026	6	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:N[6]-3:N[6]-3:	N[6](C[6]C[6]N[6])2(H)	C[6](C[6]C[6]2)(N[6]C[6]H)2	C[6](C[6]C[6]2)(N[6]C[6]H)2	N[6](C[6]C[6]N[6])2(H){2|H<1>,5|C<3>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|N<3>,2|C<3>,2|O<1>,2|O<2>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|N<3>,2|C<3>,2|O<1>,2|O<2>}	123.7013	0.176	3	123.7355	0.026	6	123.7355	0.026	6	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|H<1>,2|C<3>}	123.4330	0.000	1	123.4330	0.000	1	123.4330	0.000	1	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>}	123.6030	0.000	1	123.6030	0.000	1	123.6030	0.000	1	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	124.1450	0.000	1	124.1450	0.000	1	122.7972	2.039	17	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	N[6](C[6]C[6a]C[6])2(H){1|C<2>,1|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	121.7000	0.000	1	121.6261	0.278	7	122.7972	2.039	17	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	N[6](C[6]C[6a]C[6])2(H){1|C<4>,2|C<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	121.4660	0.502	5	121.6261	0.278	7	122.7972	2.039	17	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	N[6](C[6]C[6a]C[6])2(H){1|C<4>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	122.3530	0.000	1	121.6261	0.278	7	122.7972	2.039	17	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6a]C[6])2(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|H<1>,5|C<3>}	121.9200	0.148	2	121.9200	0.022	2	122.7972	2.039	17	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	124.2820	0.150	2	124.7253	0.368	4	122.7972	2.039	17	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	124.7840	0.000	1	124.7253	0.368	4	122.7972	2.039	17	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6a]C[6])2(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|Pt<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	125.5530	0.000	1	124.7253	0.368	4	122.7972	2.039	17	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6a]C[6])2(H){2|H<1>,2|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|S<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|S<1>,4|C<3>}	122.4790	0.000	1	122.4790	0.000	1	122.7972	2.039	17	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]S[6]H)(N[6]C[6]H)	N[6](C[6]C[6a]C[6])2(H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]S[6]H)(N[6]C[6]H){2|H<1>,2|O<1>,4|C<3>}	123.4020	1.083	2	123.4020	1.174	2	122.7972	2.039	17	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5]-3:N[6]-3:	N[6](C[6]N[5a]C[6])(C[6]C[6]N[5])(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	N[6](C[6]N[5a]C[6])(C[6]C[6]N[5])(H){2|H<1>,5|C<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	117.2620	0.000	1	117.2620	0.000	1	117.2620	0.000	1	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C-3:	N[6]-3:N[6]-3:C-3:	N[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]H)2(CNN)	C[6](N[6]C[6]H)2(CNN)	N[6](C[6]N[6]C)2(H){1|C<4>,2|H<1>}	C[6](N[6]C[6]H)2(CNN){1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6]H)2(CNN){1|C<3>,1|N<3>,2|H<1>}	122.1460	0.000	1	122.1460	0.000	1	122.1460	0.000	1	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[5]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6]C[5]C[6])(O)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6]C[6a]C[6])(C[6]C[5]C[6])(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){2|H<1>,4|C<3>}	119.7200	0.000	1	119.7200	0.000	1	119.7200	0.000	1	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:N[6]-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]N[6])(C[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)	N[6](C[6]C[6,6a]N[6])(C[6]C[6a]C[6])(O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	121.4970	0.240	4	121.4970	0.058	4	121.4970	0.058	4	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6]2)2(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6]C[6]2)2(O){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	119.8320	0.000	1	119.8320	0.000	1	119.8320	0.000	1	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	N[6](C[6]C[6]N)2(O){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	124.1040	0.000	2	124.1040	0.000	2	121.9275	15.611	4	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)2(O)	C[6](C[6]N[6]N)(N[6]C[6]O)(NHH)	C[6](C[6]N[6]N)(N[6]C[6]O)(NHH)	N[6](C[6]C[6]N)2(O){1|N<2>,2|N<3>}	C[6](C[6]N[6]N)(N[6]C[6]O)(NHH){1|C<3>,1|N<3>}	C[6](C[6]N[6]N)(N[6]C[6]O)(NHH){1|C<3>,1|N<3>}	123.4850	0.000	1	123.4850	0.000	1	121.9275	15.611	4	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)2(O)	C[6](C[6]N[6]N)(N[6]C[6]O)(NOO)	C[6](C[6]N[6]N)(N[6]C[6]O)(NOO)	N[6](C[6]C[6]N)2(O){1|N<2>,2|N<3>}	C[6](C[6]N[6]N)(N[6]C[6]O)(NOO){1|C<3>,1|N<3>}	C[6](C[6]N[6]N)(N[6]C[6]O)(NOO){1|C<3>,1|N<3>}	116.0170	0.000	1	116.0170	0.000	1	121.9275	15.611	4	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(O)	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	C[6](N[6]C[6]O)2(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N)(O){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){3|N<3>}	C[6](N[6]C[6]O)2(NHH){1|C<3>,2|N<3>}	125.1065	1.858	2	125.1065	3.451	2	125.1065	3.451	2	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:Se-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	N[6](C[6]C[6]C)2(Se)	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N)	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N)	N[6](C[6]C[6]C)2(Se){1|C<3>,2|H<1>}	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	121.9310	0.000	1	121.9310	0.000	1	121.9310	0.000	1	122.8648	2.909	154	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]H){1|Pt<4>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	125.1030	0.000	1	125.1030	0.000	1	125.1030	0.000	1	123.2137	1.455	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	123.2790	0.000	1	123.2790	0.000	1	123.2790	0.000	1	123.2137	1.455	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	122.3585	0.009	2	122.3585	0.000	2	122.2253	0.053	3	123.2137	1.455	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	121.9590	0.000	1	121.9590	0.000	1	122.2253	0.053	3	123.2137	1.455	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:P-4:	N[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	N[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|H<1>,2|C<3>}	122.8890	0.000	1	122.8890	0.000	1	122.8890	0.000	1	123.2137	1.455	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	122.9320	0.000	1	122.9320	0.000	1	123.4270	0.728	3	123.2137	1.455	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	124.4120	0.000	1	124.4120	0.000	1	123.4270	0.728	3	123.2137	1.455	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	122.9370	0.000	1	122.9370	0.000	1	123.4270	0.728	3	123.2137	1.455	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	122.6490	0.000	1	122.6490	0.000	1	123.7057	0.414	11	123.2137	1.455	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	123.8650	0.498	7	123.7877	0.358	9	123.7057	0.414	11	123.2137	1.455	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,2|C<3>}	123.5170	1.088	2	123.7877	0.358	9	123.7057	0.414	11	123.2137	1.455	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6]S[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]H)(N[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]S[6]H)(N[6]C[6]H)(CH3){2|C<3>,2|O<1>}	124.0250	0.000	1	124.0250	0.000	1	123.7057	0.414	11	123.2137	1.455	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]2)(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	119.3850	0.000	1	119.3850	0.000	1	119.3850	0.000	1	123.2137	1.455	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:C-4:	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)(O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]C)(O){1|C<4>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|H<1>,4|C<3>}	122.3260	0.000	1	122.3260	0.000	1	122.3260	0.000	1	123.2137	1.455	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]2)	C[6](C[6]C[6,6a]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]2){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]H)(O){3|C<3>}	123.7340	0.000	1	123.7340	0.000	1	122.6380	2.402	2	124.8513	2.606	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCC)	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCC){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){3|C<3>}	121.5420	0.000	1	121.5420	0.000	1	122.6380	2.402	2	124.8513	2.606	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H){1|Fe<10>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H){1|Fe<10>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]H)(O){1|H<1>,2|C<3>,2|C<4>}	126.5950	0.000	1	126.5950	0.000	1	126.5950	0.000	1	124.8513	2.606	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H)	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6]H)(O){3|H<1>,4|C<3>}	127.0575	0.769	2	127.0575	0.591	2	127.0575	0.591	2	124.8513	2.606	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	124.6750	0.000	1	124.6750	0.000	1	124.9966	0.964	5	124.8513	2.606	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCH)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){3|C<3>}	124.4185	1.411	2	124.4185	1.990	2	124.9966	0.964	5	124.8513	2.606	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	125.7355	0.053	2	125.7355	0.003	2	124.9966	0.964	5	124.8513	2.606	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	124.4010	0.000	1	124.4010	0.000	1	124.2373	0.947	4	124.8513	2.606	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]CN)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CN)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	123.9530	0.000	1	123.9530	0.000	1	124.2373	0.947	4	124.8513	2.606	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	123.1300	0.000	1	123.1300	0.000	1	124.2373	0.947	4	124.8513	2.606	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6a]C[6]N)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]N)(N[6]C[6]H)(O){1|H<1>,5|C<3>}	125.4650	0.000	1	125.4650	0.000	1	124.2373	0.947	4	124.8513	2.606	14	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<4>,1|H<1>,2|C<3>}	123.3750	0.000	1	123.3750	0.000	1	123.6820	0.188	2	123.6820	0.188	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,2|C<4>}	123.9890	0.000	1	123.9890	0.000	1	123.6820	0.188	2	123.6820	0.188	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(NC)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,2|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(NC){1|C<3>,2|C<4>}	122.2050	0.000	1	122.2050	0.000	1	122.5333	0.298	15	122.2923	1.211	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,2|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|C<4>}	121.8150	0.000	1	121.8150	0.000	1	122.5333	0.298	15	122.2923	1.211	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(NS)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,2|N<2>}	C[6](N[6]C[6]H)(N[6]C[6])(NS){1|C<3>,2|C<4>}	122.6138	0.537	13	122.6138	0.289	13	122.5333	0.298	15	122.2923	1.211	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<4>,1|H<1>,2|C<3>}	119.5880	0.000	1	119.5880	0.000	1	121.7757	3.085	7	122.2923	1.211	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<2>,1|O<2>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|C<4>,1|O<2>}	120.5750	0.000	1	120.5750	0.000	1	121.7757	3.085	7	122.2923	1.211	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(SCu)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(SCu){1|C<3>,2|C<4>}	122.2067	1.710	4	122.2067	2.924	4	121.7757	3.085	7	122.2923	1.211	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(SIr)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(SIr){1|C<3>,2|C<4>}	123.4400	0.000	1	123.4400	0.000	1	121.7757	3.085	7	122.2923	1.211	22	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<3>,2|C<4>}	120.4580	1.042	2	120.4580	1.086	2	121.2319	0.586	72	121.2319	0.586	72	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|C<4>}	121.2223	0.941	23	121.2689	0.756	32	121.2319	0.586	72	121.2319	0.586	72	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|H<1>}	121.9777	0.727	3	121.2689	0.756	32	121.2319	0.586	72	121.2319	0.586	72	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|O<2>}	121.0928	0.481	6	121.2689	0.756	32	121.2319	0.586	72	121.2319	0.586	72	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(NHS)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHS){1|C<3>,2|C<4>}	120.4177	0.512	7	120.4177	0.262	7	121.2319	0.586	72	121.2319	0.586	72	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH){1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|N<3>}	121.4338	0.454	28	121.4338	0.206	28	121.2319	0.586	72	121.2319	0.586	72	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH){1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|N<3>}	121.3690	1.201	3	121.3690	1.441	3	121.2319	0.586	72	121.2319	0.586	72	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	122.5135	0.060	2	122.5135	0.004	2	122.5135	0.004	2	122.5135	0.004	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]O[6])(N[6]C[6]H)(CH3)	C[6](C[6]C[6,6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(N[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	124.1190	0.000	1	124.1190	0.000	1	124.1190	0.000	1	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	120.5990	0.000	1	120.5990	0.000	1	123.0508	1.041	56	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]CO)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	124.4810	1.294	2	124.4810	1.674	2	123.0508	1.041	56	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	123.0235	0.221	2	123.0235	0.049	2	123.0508	1.041	56	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HO)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.2700	0.000	1	122.2700	0.000	1	123.0508	1.041	56	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	123.7803	0.102	3	122.5310	0.521	20	123.0508	1.041	56	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>}	122.4490	0.000	1	122.5310	0.521	20	123.0508	1.041	56	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	122.2983	0.557	15	122.5310	0.521	20	123.0508	1.041	56	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	122.3550	0.000	1	122.5310	0.521	20	123.0508	1.041	56	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5a]HH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.0110	0.000	1	122.0110	0.000	1	123.0508	1.041	56	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	123.3638	0.501	10	123.8095	0.614	19	123.0508	1.041	56	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	124.3048	0.759	9	123.8095	0.614	19	123.0508	1.041	56	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<2>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	122.5580	0.483	6	122.5580	0.233	6	123.0508	1.041	56	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	122.4590	0.148	2	123.2380	1.832	3	123.0508	1.041	56	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	124.7960	0.000	1	123.2380	1.832	3	123.0508	1.041	56	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	122.8950	0.000	1	122.8950	0.000	1	123.0508	1.041	56	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	125.3300	0.000	1	125.3300	0.000	1	125.3300	0.000	1	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|S<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,2|C<3>}	126.2100	0.000	1	126.2100	0.000	1	125.7637	0.154	3	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|C<3>,1|C<4>,1|H<1>}	125.5405	0.095	2	125.5405	0.009	2	125.7637	0.154	3	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(CH3)	C[6](N[6]C[5,6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]H)(N[6]C[6]H)(O){1|C<4>,3|C<3>}	124.0680	0.000	1	124.0680	0.000	1	123.8097	0.438	51	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	123.5900	0.074	2	123.5900	0.005	2	123.8097	0.438	51	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CClHH)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CClHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	124.0160	0.000	1	124.0160	0.000	1	123.8097	0.438	51	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	124.5665	0.152	2	124.5665	0.023	2	123.8097	0.438	51	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	123.5746	0.623	33	123.5962	0.373	35	123.8097	0.438	51	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,2|C<4>}	123.9525	0.030	2	123.5962	0.373	35	123.8097	0.438	51	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(O){1|C<3>,2|C<4>}	124.3377	0.652	7	124.3377	0.424	7	123.8097	0.438	51	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){2|C<4>,3|C<3>}	124.5560	0.197	3	124.5560	0.039	3	123.8097	0.438	51	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|C<4>,1|O<1>}	124.6610	0.000	1	124.6610	0.000	1	123.9154	0.383	79	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,1|H<1>,2|C<3>}	125.8260	0.000	1	125.8260	0.000	1	123.9154	0.383	79	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	123.8791	0.604	40	123.8960	0.320	50	123.9154	0.383	79	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|H<1>,2|C<4>}	124.0640	0.045	2	123.8960	0.320	50	123.9154	0.383	79	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|C<4>,1|O<1>}	124.0027	0.438	7	123.8960	0.320	50	123.9154	0.383	79	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<4>,1|H<1>,2|C<3>}	123.4890	0.000	1	123.8960	0.320	50	123.9154	0.383	79	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|C<4>,1|O<1>}	123.8858	0.387	12	123.8858	0.150	12	123.9154	0.383	79	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<4>,2|C<3>}	123.9280	0.000	1	124.0667	0.418	12	123.9154	0.383	79	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,2|C<4>}	124.5784	0.730	5	124.0667	0.418	12	123.9154	0.383	79	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|C<4>,1|O<1>}	123.6635	0.182	6	124.0667	0.418	12	123.9154	0.383	79	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<3>,1|C<4>,1|O<1>}	122.8650	0.217	3	122.8650	0.047	3	123.9154	0.383	79	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:Se-1:	N[6](C[6]N[6]Se)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH)	C[6](N[6]C[6]H)2(Se)	N[6](C[6]N[6]Se)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH){1|Se<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(Se){1|C<3>,1|C<4>,1|O<1>}	123.9370	0.394	5	123.9370	0.156	5	123.9136	0.294	10	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:Se-1:	N[6](C[6]N[6]Se)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](N[6]C[6]H)2(Se)	N[6](C[6]N[6]Se)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Se<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(Se){1|C<3>,1|C<4>,1|O<1>}	124.0132	0.757	4	124.0132	0.573	4	123.9136	0.294	10	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:Se-1:	N[6](C[6]N[6]Se)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(Se)	N[6](C[6]N[6]Se)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Se<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(Se){1|C<3>,1|C<4>,1|O<1>}	123.3980	0.000	1	123.3980	0.000	1	123.9136	0.294	10	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>}	122.7140	0.191	2	122.6815	0.097	4	122.6815	0.097	4	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|P<4>}	122.2960	0.000	1	122.6815	0.097	4	122.6815	0.097	4	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|P<4>,2|C<3>}	123.0020	0.000	1	122.6815	0.097	4	122.6815	0.097	4	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO)	C[6](C[6]C[6]O)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	121.8300	0.000	1	121.8300	0.000	1	120.0965	0.505	19	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	120.3000	0.000	1	120.3000	0.000	1	120.0965	0.505	19	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	120.1690	0.000	1	120.1690	0.000	1	120.0965	0.505	19	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	119.7690	0.000	1	119.7690	0.000	1	120.0965	0.505	19	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	120.9050	0.000	1	120.9050	0.000	1	120.0965	0.505	19	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<4>,2|C<3>}	121.0470	0.000	1	121.0470	0.000	1	120.0965	0.505	19	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	120.6010	0.000	1	120.6010	0.000	1	120.0965	0.505	19	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	120.6660	0.000	1	120.6660	0.000	1	120.0965	0.505	19	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	119.6467	0.424	6	119.7389	0.210	7	120.0965	0.505	19	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	120.2920	0.000	1	119.7389	0.210	7	120.0965	0.505	19	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	119.5938	0.458	4	119.5938	0.210	4	120.0965	0.505	19	123.3611	1.751	224	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|C<4>,1|H<1>}	125.2290	0.663	3	125.2290	0.439	3	125.2290	0.439	3	124.3915	0.758	11	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(OCo)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OCo){1|C<3>,1|C<4>,1|H<1>}	125.5140	0.000	1	125.5140	0.000	1	124.5300	1.937	2	124.3915	0.758	11	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	123.5460	0.000	1	123.5460	0.000	1	124.5300	1.937	2	124.3915	0.758	11	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH)	C[6](C[6]N[6]S)(N[6]C[6]H)(SNi)	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|N<2>,1|S<2>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]H)(SNi){1|C<3>,1|C<4>}	123.3050	0.000	1	123.3050	0.000	1	123.5150	0.088	2	124.3915	0.758	11	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH)	C[6](C[6]N[6]S)(N[6]C[6]H)(SPt)	N[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|N<2>,1|S<2>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6]H)(SPt){1|C<3>,1|C<4>}	123.7250	0.000	1	123.7250	0.000	1	123.5150	0.088	2	124.3915	0.758	11	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](N[6]C[6]H)2(SCu)	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<2>}	C[6](N[6]C[6]H)2(SCu){1|C<3>,1|C<4>,1|O<1>}	124.1325	0.494	4	124.1325	0.244	4	124.1325	0.244	4	124.3915	0.758	11	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHP)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHP){1|C<3>,2|C<4>}	119.4717	0.610	3	119.4717	0.372	3	119.4717	0.372	3	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|C<4>}	125.2150	0.379	2	125.2150	0.144	2	123.9754	1.073	54	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CF3)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CF3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH){1|C<3>,1|C<4>,1|H<1>}	123.1933	0.036	3	123.1933	0.001	3	123.9754	1.073	54	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH){1|C<3>,1|C<4>,1|H<1>}	124.9100	0.479	2	124.9100	0.230	2	123.9754	1.073	54	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	124.3990	0.000	1	124.3990	0.000	1	123.9754	1.073	54	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|C<4>}	123.0735	0.213	2	123.9100	1.223	41	123.9754	1.073	54	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	123.9529	1.117	39	123.9100	1.223	41	123.9754	1.073	54	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	123.9740	0.404	4	123.9740	0.164	4	123.9754	1.073	54	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	124.2380	0.000	1	124.2380	0.000	1	123.9754	1.073	54	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3){1|O<1>,2|N<3>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|O<1>}	123.1740	0.000	1	123.1740	0.000	1	122.4373	0.245	12	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(NC[6a]H)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]H)2(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	122.1640	0.321	3	122.1640	0.103	3	122.4373	0.245	12	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|N<3>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|H<1>}	122.9900	0.000	1	122.3035	0.245	6	122.4373	0.245	12	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|O<1>,2|N<3>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|O<1>}	122.1662	0.405	5	122.3035	0.245	6	122.4373	0.245	12	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH)	C[6](N[6]C[6]H)2(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH){2|C<3>,3|N<3>}	C[6](N[6]C[6]H)2(NHH){1|C<3>,1|C<4>,1|N<3>}	122.8800	0.023	2	122.8800	0.001	2	122.4373	0.245	12	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]O)	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]O){1|C<4>,2|C<3>}	121.8720	0.000	1	121.8720	0.000	1	121.8720	0.000	1	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	N[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	121.3020	0.000	1	121.3020	0.000	1	121.3020	0.000	1	123.4579	2.030	71	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,2|H<1>}	124.1140	0.000	1	124.1140	0.000	1	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,2|C<4>}	122.6890	0.000	1	122.6890	0.000	1	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	123.1860	0.000	1	123.6763	0.628	96	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	122.3305	0.508	4	123.6763	0.628	96	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	123.8580	0.000	1	123.6763	0.628	96	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	124.3310	0.000	1	123.6763	0.628	96	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	123.6565	0.633	86	123.6763	0.628	96	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	126.4390	0.270	2	123.6763	0.628	96	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,2|C<3>}	124.8880	0.000	1	123.6763	0.628	96	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	123.6620	0.011	2	123.6620	0.000	2	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	124.1890	0.000	1	124.1890	0.000	1	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHHO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	122.2970	0.105	2	122.2970	0.011	2	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH){1|C<4>,1|H<1>,2|C<3>}	123.2480	0.000	1	123.2480	0.000	1	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CBHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	126.0910	0.000	1	126.0910	0.000	1	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH){1|C<3>,1|C<4>,1|H<1>}	123.4780	0.000	1	123.4780	0.000	1	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	126.2640	0.000	1	124.9490	1.299	3	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|C<4>}	124.2915	0.064	2	124.9490	1.299	3	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|C<4>}	124.1475	0.506	2	124.1475	0.256	2	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCOO)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCOO)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCOO){1|C<3>,1|C<4>,1|H<1>}	123.8580	0.000	1	123.8580	0.000	1	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	124.2235	0.333	4	124.2235	0.111	4	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH){1|C<3>,1|C<4>,1|H<1>}	122.9770	0.000	1	122.9770	0.000	1	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|B<3>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|B<3>,1|C<3>,1|C<4>}	125.1080	0.000	1	124.0271	0.733	42	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	124.1595	0.861	29	124.0271	0.733	42	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|C<4>}	123.6170	0.713	12	124.0271	0.733	42	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	124.0783	0.950	3	124.0783	0.902	3	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	123.5555	0.047	2	123.5555	0.002	2	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	123.3290	0.000	1	123.3290	0.000	1	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO)	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO){1|C<3>,1|C<4>,1|H<1>}	124.5355	0.112	2	124.5355	0.013	2	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	125.0280	0.259	8	125.0280	0.067	8	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	124.6300	0.000	1	124.6300	0.000	1	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]P[6])(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]P[6])(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	122.7210	0.384	3	122.7210	0.148	3	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|N<2>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>}	124.4352	0.267	4	124.7478	1.748	17	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	124.8439	1.507	13	124.7478	1.748	17	123.9293	0.894	196	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(CCCH)	N[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(CCCH){1|C<3>,1|C<4>,1|O<1>}	122.3965	0.066	2	122.3965	0.004	2	122.5560	0.078	3	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](N[6]C[6]H)2(CH3)	N[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|O<1>}	122.8750	0.000	1	122.8750	0.000	1	122.5560	0.078	3	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-4:	N[6]-3:N[6]-3:N-4:	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH3)	C[6](N[6]C[6]H)2(NH3)	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH3){1|N<3>,2|N<4>}	C[6](N[6]C[6]H)2(NH3){1|C<3>,2|N<4>}	120.7425	2.245	2	120.7425	5.040	2	120.7425	5.040	2	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Si-4:	C[6]-3:N[6]-3:Si-4:	N[6](C[6]C[6]Si)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SiCCO)	C[6](C[6]C[6]H)(N[6]C[6]H)(SiCCO)	N[6](C[6]C[6]Si)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SiCCO){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SiCCO){1|Si<4>,1|C<3>,1|H<1>}	126.8030	0.000	1	126.8030	0.000	1	126.8030	0.000	1	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[5a,6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]O)(CH3)	C[6](C[6]C[5a,6]P)(N[6]C[6]O)(CH3)	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O){1|C<3>,1|O<2>,1|P<4>}	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]O)(CH3){1|C<4>,3|C<3>}	C[6](C[6]C[5a,6]P)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	123.4620	0.000	1	123.4620	0.000	1	122.4150	2.192	2	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[5a,6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]O)(CH3)	C[6](C[6]N[5a,6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	121.3680	0.000	1	121.3680	0.000	1	122.4150	2.192	2	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH)	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]HH){1|C<4>,2|C<3>}	122.5575	0.210	4	122.5575	0.044	4	122.5575	0.044	4	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCCH)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	121.0310	0.000	1	121.0310	0.000	1	121.3505	0.244	24	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	121.5030	0.000	1	121.5030	0.000	1	121.3505	0.244	24	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	121.7665	0.237	2	121.7665	0.056	2	121.3505	0.244	24	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP)	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP){1|C<3>,1|C<4>,1|H<1>}	120.9605	0.008	2	120.9605	0.000	2	121.3505	0.244	24	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	N[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,1|C<4>,1|H<1>}	120.0810	0.000	1	120.0810	0.000	1	121.3505	0.244	24	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)2(O){1|N<2>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>}	121.4050	0.222	2	121.4408	0.202	16	121.3505	0.244	24	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)2(O){1|N<3>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	121.4459	0.478	14	121.4408	0.202	16	121.3505	0.244	24	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)2(O){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	121.2900	0.000	1	121.2900	0.000	1	121.3505	0.244	24	123.5929	1.589	232	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]N[6,6]N[6])(N[6]C[6]H)(CCCH)	C[6](C[6]N[6,6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6]N[6,6]N[6])(N[6]C[6]H)(CCCH){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]N[6,6]CH)(N[6]C[6]H)(O){1|C<3>,2|C<4>}	124.0300	0.000	1	124.0300	0.000	1	124.0300	0.000	1	124.4141	0.075	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	124.4782	0.278	6	124.4959	0.066	7	124.4568	0.064	9	124.4141	0.075	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	124.6020	0.000	1	124.4959	0.066	7	124.4568	0.064	9	124.4141	0.075	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	124.5040	0.000	1	124.5040	0.000	1	124.4568	0.064	9	124.4141	0.075	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){1|C<3>,3|C<4>}	124.1360	0.000	1	124.1360	0.000	1	124.4568	0.064	9	124.4141	0.075	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-2:N[6]-3:	C[6,6a]-3:N[6]-3:S-1:	N[6](C[6]C[5]N[6])(C[6]C[6,6a]S)(H)	C[6](C[5]C[5]2Fe)(N[6]C[6,6a])(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S)	N[6](C[6]C[5]N[6])(C[6]C[6,6a]S)(H){1|Fe<10>,2|C<3>,2|C<4>}	C[6](C[5]C[5]2Fe)(N[6]C[6,6a])(N[6]C[6]H){1|S<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(S){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	124.3260	0.000	1	124.3260	0.000	1	124.3260	0.000	1	124.3260	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,1|N<3>,1|O<1>}	125.7175	0.322	2	125.4743	0.229	3	125.5065	0.157	4	125.5065	0.157	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,2|O<1>}	124.9880	0.000	1	125.4743	0.229	3	125.5065	0.157	4	125.5065	0.157	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O){1|N<2>,2|C<4>,2|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,2|O<1>}	125.6030	0.000	1	125.6030	0.000	1	125.5065	0.157	4	125.5065	0.157	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.5325	0.548	4	121.5325	0.300	4	121.6072	0.253	5	121.6072	0.253	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]N[6])(SC)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]H)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](N[6]C[6]H)(N[6]N[6])(SC){1|C<3>,1|C<4>,1|O<1>}	121.9060	0.000	1	121.9060	0.000	1	121.6072	0.253	5	121.6072	0.253	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<4>,2|O<1>}	124.0910	0.338	3	124.0910	0.114	3	124.0910	0.114	3	126.3364	9.511	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:S[6]-2:C-3:	N[6](C[6]C[6]O)(C[6]S[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(S[6]C[6])(CCH)	N[6](C[6]C[6]O)(C[6]S[6]C)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|S<2>,2|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(CCH){1|C<4>,1|O<1>,2|H<1>}	129.7045	0.009	2	129.7045	0.000	2	129.7045	0.000	2	126.3364	9.511	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H)	C[6](C[4,6]C[4,6]2C)(N[6]C[6]H)(O)	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H){1|H<1>,3|C<4>}	C[6](C[4,6]C[4,6]2C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	127.3280	0.041	2	127.3280	0.002	2	127.2177	0.273	4	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H)	C[6](C[4,6]C[4,6]C[4]F)(N[6]C[6]H)(O)	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H){1|F<1>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]F)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	127.1075	0.878	2	127.1075	0.770	2	127.2177	0.273	4	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	126.7895	0.144	4	126.5317	0.245	6	126.6445	0.202	11	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	126.0160	0.604	2	126.5317	0.245	6	126.6445	0.202	11	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	126.7190	0.000	1	126.7190	0.000	1	126.6445	0.202	11	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	126.7952	0.457	4	126.7952	0.209	4	126.6445	0.202	11	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]H)(O){1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	128.4360	0.003	2	128.4360	0.000	2	128.2688	0.111	4	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	128.1015	0.470	2	128.1015	0.221	2	128.2688	0.111	4	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O)	C[6](N[6]C[5,6,6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|N<3>}	C[6](N[6]C[5,6,6]H)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	125.8270	0.000	1	125.8270	0.000	1	126.6257	0.395	6	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]H)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	127.1010	0.000	1	127.1010	0.000	1	126.6257	0.395	6	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	126.6345	0.969	2	126.7065	0.362	4	126.6257	0.395	6	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	126.7785	0.356	2	126.7065	0.362	4	126.6257	0.395	6	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]2C)(N[6]C[6]H)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6]2C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	126.9100	0.000	1	126.9100	0.000	1	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]2C)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	126.5572	0.232	6	126.5572	0.054	6	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]Br2)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br2)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	126.5899	1.175	10	126.5899	1.380	10	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	126.5180	0.000	1	126.5180	0.000	1	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]Co)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Co<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]Co)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	126.3740	0.000	1	126.3740	0.000	1	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	125.7310	0.000	1	125.8815	0.147	4	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	125.9317	0.452	3	125.8815	0.147	4	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	126.1042	0.750	53	126.1042	0.563	53	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]Ni)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Ni<5>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]Ni)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	125.9180	0.071	2	126.0772	0.039	4	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]Ni)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Ni<6>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]Ni)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	126.2365	0.103	2	126.0772	0.039	4	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]Pd)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[6]Pd)(N[6]C[6]H)(O){1|C<4>,1|O<1>,1|O<2>}	126.2890	0.000	1	126.0570	0.234	5	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]Pd)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]Pd)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	125.9990	0.538	4	126.0570	0.234	5	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]Pt)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]Pt)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	126.6310	0.139	2	126.6310	0.019	2	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Zn<5>,1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	125.9095	0.021	2	125.9095	0.000	2	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]CO)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	125.9000	0.602	2	125.9000	0.363	2	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	127.1339	0.538	15	127.1054	0.283	16	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	126.6770	0.000	1	127.1054	0.283	16	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]DyN)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Dy<21>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]DyN)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[6]H)2(O){1|Dy<21>,1|C<4>,1|O<1>,1|O<2>}	126.1323	0.607	3	126.1323	0.368	3	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)(N[6]C[6]W)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,1|W<6>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)(N[6]C[6]W)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	126.9290	0.000	1	126.9290	0.000	1	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	125.7506	0.604	66	125.7506	0.365	66	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]HN)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	126.7390	1.151	2	126.7390	1.325	2	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<4>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	126.5620	0.312	6	126.5620	0.097	6	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]OO)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]OO)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	126.1757	0.589	4	126.1757	0.346	4	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	126.1670	0.000	1	126.1670	0.000	1	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	126.4282	0.577	20	126.4282	0.333	20	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	126.0427	0.532	4	126.0427	0.283	4	126.1615	0.547	214	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]H)2(S){1|C<4>,2|O<1>}	127.0130	0.517	4	127.0130	0.267	4	127.1548	0.301	5	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,2|O<1>}	127.7220	0.000	1	127.7220	0.000	1	127.1548	0.301	5	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:S-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]S)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]S)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,1|S<1>}	126.6710	0.000	1	126.6710	0.000	1	126.6710	0.000	1	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:S-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6]S)(C[6]N[6]S)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,1|O<1>,1|S<1>}	128.5900	0.000	1	128.4200	0.058	2	128.4200	0.058	2	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:S-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6]S)(C[6]N[6]S)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(S){1|N<3>,2|C<3>,2|S<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,2|S<1>}	128.2500	0.000	1	128.4200	0.058	2	128.4200	0.058	2	126.2860	0.652	247	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	C[6](N[6]C[6]H)2(NC)	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6]H)2(NC){1|C<4>,2|O<1>}	126.1280	0.993	2	126.1280	0.986	2	126.1280	0.986	2	126.1280	0.986	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[5,5,6]O)(C[6]C[6]C)(H)	C[6](C[5,5,6]C[5,5]N[5,6]O[5])(N[6]C[6]H)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]H)	N[6](C[6]C[5,5,6]O)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,5,6]C[5,5]N[5,6]O[5])(N[6]C[6]H)(O){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]H){1|O<1>,2|C<4>}	124.6890	0.000	1	124.6890	0.000	1	124.6890	0.000	1	124.6890	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)2(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)2(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]H)(O){1|O<1>,2|C<4>,3|H<1>}	124.8960	0.000	1	124.8960	0.000	1	124.8960	0.000	1	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	126.2580	0.000	1	126.2580	0.000	1	126.2513	0.425	10	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)2(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O){1|O<1>,2|C<4>,4|H<1>}	127.7570	0.000	1	127.7570	0.000	1	126.2513	0.425	10	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	125.9280	0.921	2	126.0623	0.182	8	126.2513	0.425	10	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	126.3775	0.134	2	126.0623	0.182	8	126.2513	0.425	10	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	125.9050	0.000	1	126.0623	0.182	8	126.2513	0.425	10	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)2(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|O<1>,2|C<4>,4|H<1>}	125.9940	0.256	3	126.0623	0.182	8	126.2513	0.425	10	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(O)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	127.9430	0.000	1	127.9430	0.000	1	127.9430	0.000	1	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	126.1600	0.000	1	126.1600	0.000	1	126.7661	0.500	29	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	126.3894	0.645	7	126.3028	0.373	10	126.7661	0.500	29	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	126.6790	0.000	1	126.3028	0.373	10	126.7661	0.500	29	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	125.8115	0.425	2	126.3028	0.373	10	126.7661	0.500	29	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5]F)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H){1|C<4>,1|F<1>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5]F)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	127.6372	0.285	4	127.6372	0.081	4	126.7661	0.500	29	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	126.8067	0.373	4	126.8924	0.119	11	126.7661	0.500	29	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	126.9413	0.349	7	126.8924	0.119	11	126.7661	0.500	29	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]HO)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	127.1080	0.000	1	127.1080	0.000	1	126.7661	0.500	29	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	128.0770	0.000	1	128.0770	0.000	1	126.7661	0.500	29	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|O<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|O<1>,2|C<4>}	125.4800	0.000	1	125.4800	0.000	1	126.7661	0.500	29	126.6237	0.613	41	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:N-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(NS)	C[6](N[6]C[6]H)(N[6]C[6]S)(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(NS){1|H<1>,1|N<3>,1|O<1>,1|P<4>}	C[6](N[6]C[6]H)(N[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<2>,1|P<4>}	127.3890	0.000	1	127.3890	0.000	1	127.3890	0.000	1	127.3890	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:N[6]-3:N-2:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]N)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(NC[6a])	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]N)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(NC[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(O){1|H<1>,1|N<2>,2|C<4>}	126.5960	0.000	1	126.5960	0.000	1	126.5960	0.000	1	126.9273	0.085	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:S-2:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(SCu)	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(SCu){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|S<2>,2|H<1>}	127.0930	0.078	2	127.0930	0.006	2	127.0930	0.006	2	126.9273	0.085	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:N-2:	C[6]-4:N[6]-3:N-2:	N[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(NO)	C[6](C[6]C[6]HH)(N[6]C[6]H)(NO)	N[6](C[6]C[6]N)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(NO){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]H)(NO){1|C<4>,1|N<2>,2|H<1>}	125.4093	0.171	4	125.4093	0.029	4	125.4093	0.029	4	125.4093	0.029	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.8360	0.000	1	122.8360	0.000	1	122.8360	0.000	1	122.1961	2.373	13	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	123.1297	0.371	3	123.1297	0.138	3	123.1297	0.138	3	122.1961	2.373	13	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	124.2870	0.000	1	124.2870	0.000	1	124.2870	0.000	1	122.1961	2.373	13	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Fe)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](PC[6a]2Fe)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	123.8540	0.000	1	123.8540	0.000	1	123.2723	0.266	3	122.1961	2.373	13	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Pd)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](PC[6a]2Pd)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	122.9815	0.156	2	122.9815	0.024	2	123.2723	0.266	3	122.1961	2.373	13	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]2O)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	121.4070	0.000	1	121.4070	0.000	1	120.4440	0.363	5	122.1961	2.373	13	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	119.9010	0.000	1	119.9010	0.000	1	120.4440	0.363	5	122.1961	2.373	13	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	120.3040	0.293	3	120.3040	0.086	3	120.4440	0.363	5	122.1961	2.373	13	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[5,6]-4:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[5,6]C[6])(C[6]C[6a]C[6])(O)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	N[6](C[6]C[5,6]C[6])(C[6]C[6a]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(N[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	121.4620	0.000	1	121.4620	0.000	1	121.4620	0.000	1	121.4620	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	122.3010	0.000	1	122.3010	0.000	1	122.3010	0.000	1	122.0082	0.951	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](PC[6a]2Pt)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](PC[6a]2Pt)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	123.5880	0.000	1	123.5880	0.000	1	123.5880	0.000	1	122.0082	0.951	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]2)(C[6]C[6]C)(O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	121.3840	0.166	3	121.3840	0.027	3	121.3840	0.027	3	122.0082	0.951	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:C-3:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CCH)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,2|H<1>,3|C<4>}	124.8050	0.000	1	124.8050	0.000	1	124.7980	0.000	2	124.7980	0.000	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:C-3:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CHH)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,2|H<1>,3|C<4>}	124.7910	0.000	1	124.7910	0.000	1	124.7980	0.000	2	124.7980	0.000	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-3:N[6]-3:	B-4:C[6]-3:N[6]-3:	N[6](C[6]C[6]B)2(H)	C[6](BC[6a]N[5]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](BC[6a]N[5]2)(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]B)2(H){1|C<3>,2|H<1>}	C[6](BC[6a]N[5]2)(C[6]C[6]H)(N[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	C[6](BC[6a]N[5]2)(C[6]C[6]H)(N[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	127.5480	0.000	1	127.5480	0.000	1	127.5480	0.000	1	127.5480	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x3,3x5,12x6]-5:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|B<5>,1|C<3>,4|B<6>,6|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	124.0860	0.000	1	124.0860	0.000	1	124.0860	0.000	1	124.0860	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]N)(C[6]N[6]O)(OH)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	C[6](N[6]C[6]O)2(O)	N[6](C[6]N[6]N)(C[6]N[6]O)(OH){1|C<3>,1|O<1>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|O<1>,2|N<3>}	C[6](N[6]C[6]O)2(O){1|N<2>,2|N<3>}	123.0430	0.000	1	123.5517	0.197	3	123.5517	0.197	3	123.5517	0.197	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]N)(C[6]N[6]O)(OH)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	C[6](N[6]C[6]O)2(O)	N[6](C[6]N[6]N)(C[6]N[6]O)(OH){1|C<3>,1|O<2>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|O<1>,2|N<3>}	C[6](N[6]C[6]O)2(O){1|N<2>,2|N<3>}	123.8060	0.076	2	123.5517	0.197	3	123.5517	0.197	3	123.5517	0.197	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:2:3:	3:3:3:	C[6]-3:C[6]-3:O-2:	N[6]-3:N[6]-2:N-3:	N[6]-3:N[6]-3:N-3:	N[6](C[6]N[6]N)2(OH)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	C[6](N[6]C[6]O)2(NHH)	N[6](C[6]N[6]N)2(OH){1|C<3>,1|O<2>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){3|N<3>}	C[6](N[6]C[6]O)2(NHH){1|N<2>,2|N<3>}	122.3050	0.287	2	122.3050	0.082	2	122.3050	0.082	2	122.3050	0.082	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	2:3:3:	C[6]-3:C[6]-3:N-2:	C[6,6a]-3:N[6]-3:H-1:	N[6]-2:N[6]-3:N-3:	N[6](C[6]C[6,6a]H)(C[6]N[6]N)(NS)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)	C[6](N[6]C[6,6a])(N[6]C[6]N)(NCH)	N[6](C[6]C[6,6a]H)(C[6]N[6]N)(NS){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6]N)(NCH){1|H<1>,2|C<3>}	119.8820	0.245	2	119.8820	0.060	2	119.8820	0.060	2	119.8820	0.060	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(IN[6])	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	N[6](C[6]C[6]H)2(IN[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	119.9096	0.482	19	119.9096	0.232	19	119.9096	0.232	19	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(NS)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(NS){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,2|C<3>}	122.0260	0.000	1	122.0260	0.000	1	122.0260	0.000	1	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(NC)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[6,6a]O)2(NC){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	125.9780	1.136	2	125.9780	1.290	2	125.9780	1.290	2	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(NC)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	120.7750	0.000	1	121.2748	2.677	25	121.2793	2.330	29	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(NC)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	121.2957	1.668	24	121.2748	2.677	25	121.2793	2.330	29	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(NC[5])	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)2(NC[5]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	121.6540	0.000	1	121.6540	0.000	1	121.2793	2.330	29	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(NS)	C[6](C[6]C[6]C)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)2(NS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	121.7910	0.000	1	121.7910	0.000	1	121.2793	2.330	29	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(NW)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)2(NW){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	120.8920	0.516	2	120.8920	0.266	2	121.2793	2.330	29	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OB)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OB){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	123.7235	0.098	2	123.7235	0.010	2	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OB)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OB){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	121.8723	1.169	3	121.8723	1.366	3	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OB[5])	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OB[5]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	122.6570	0.000	1	122.6570	0.000	1	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OB[6a])	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OB[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	124.2700	0.000	1	124.2700	0.000	1	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OBi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OBi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.0780	0.000	1	121.0780	0.000	1	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	125.1850	0.000	1	125.1850	0.000	1	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OCd)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OCd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.5290	0.000	1	120.5290	0.000	1	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OCo)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OCo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	121.1180	0.000	1	120.5519	0.341	11	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OCo)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OCo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.9274	0.325	5	120.5519	0.341	11	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OCo)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OCo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.0632	0.438	5	120.5519	0.341	11	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OCo)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OCo){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	122.0020	0.000	1	122.0020	0.000	1	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OCu)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OCu){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.3660	0.000	1	120.3660	0.000	1	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OFe)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OFe){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	120.0440	0.952	2	120.4608	0.390	5	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OFe)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OFe){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.7387	0.193	3	120.4608	0.390	5	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	123.0137	0.138	3	123.0137	0.019	3	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OMn)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	121.3060	0.000	1	121.3060	0.000	1	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OMn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	120.6827	0.451	3	120.3885	0.291	10	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OMn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.5978	0.498	4	120.3885	0.291	10	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OMn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	119.8153	0.146	3	120.3885	0.291	10	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OMo)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	122.6090	0.000	1	122.6090	0.000	1	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(ONi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(ONi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	120.9295	0.131	2	120.6372	0.141	4	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(ONi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(ONi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	120.5260	0.000	1	120.6372	0.141	4	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(ONi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(ONi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.1640	0.000	1	120.6372	0.141	4	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OPd)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OPd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	121.9290	0.000	1	121.9290	0.000	1	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(ORu)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(ORu){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	122.8930	0.000	1	122.8930	0.000	1	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OSi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OSi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	122.4815	0.790	2	122.4815	0.624	2	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OSn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OSn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	121.8860	0.000	1	121.8100	0.200	5	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OSn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OSn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	122.1675	0.260	2	121.8100	0.200	5	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OSn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OSn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.4145	0.397	2	121.8100	0.200	5	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OZn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OZn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	120.2145	0.286	2	120.7094	0.262	5	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OZn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OZn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.0393	0.274	3	120.7094	0.262	5	121.3000	1.546	61	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]H)(C[6]C[6]S)(OH)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(S)	N[6](C[6]C[6]H)(C[6]C[6]S)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(S){1|C<3>,2|H<1>}	125.5930	0.000	1	125.5930	0.000	1	125.5930	0.000	1	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(SN[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SN[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	118.6360	0.000	1	119.5575	1.698	2	119.5575	1.698	2	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(SN[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SN[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|H<1>,2|C<3>}	120.4790	0.000	1	119.5575	1.698	2	119.5575	1.698	2	121.1597	2.355	115	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(NIr)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(SIr)	N[6](C[6]C[6]H)(C[6]C[6]S)(NIr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]N)(SIr){1|C<3>,2|H<1>}	119.7520	0.000	1	119.7520	0.000	1	119.7520	0.000	1	122.1431	0.777	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(OCr)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SCr)	N[6](C[6]C[6]H)(C[6]C[6]S)(OCr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SCr){1|C<3>,2|H<1>}	122.7690	0.873	3	122.7690	0.763	3	122.3025	0.397	15	122.1431	0.777	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(OIr)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SIr)	N[6](C[6]C[6]H)(C[6]C[6]S)(OIr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SIr){1|C<3>,2|H<1>}	122.8740	0.000	1	122.8740	0.000	1	122.3025	0.397	15	122.1431	0.777	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(OMg)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SMg)	N[6](C[6]C[6]H)(C[6]C[6]S)(OMg){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SMg){1|C<3>,2|H<1>}	122.4040	0.000	1	122.4040	0.000	1	122.3025	0.397	15	122.1431	0.777	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(OPd)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SPd)	N[6](C[6]C[6]H)(C[6]C[6]S)(OPd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SPd){1|C<3>,2|H<1>}	122.3480	0.602	2	122.3480	0.363	2	122.3025	0.397	15	122.1431	0.777	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(ORu)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SRu)	N[6](C[6]C[6]H)(C[6]C[6]S)(ORu){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SRu){1|C<3>,2|H<1>}	122.6855	0.125	2	122.6855	0.016	2	122.3025	0.397	15	122.1431	0.777	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(OSn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SSn)	N[6](C[6]C[6]H)(C[6]C[6]S)(OSn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SSn){1|C<3>,2|H<1>}	122.3530	0.030	2	122.3530	0.001	2	122.3025	0.397	15	122.1431	0.777	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(OZn)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SZn)	N[6](C[6]C[6]H)(C[6]C[6]S)(OZn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SZn){1|C<3>,2|H<1>}	121.5447	0.141	4	121.5447	0.020	4	122.3025	0.397	15	122.1431	0.777	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(ONi)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6]Ni)	N[6](C[6]C[6]H)(C[6]C[6]N)(ONi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6]Ni){1|C<3>,2|H<1>}	122.2745	0.491	4	122.2745	0.241	4	121.9994	0.402	8	121.9994	0.402	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(OPd)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NPdC)	N[6](C[6]C[6]H)(C[6]C[6]N)(OPd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NPdC){1|C<3>,2|H<1>}	121.7242	0.703	4	121.7242	0.495	4	121.9994	0.402	8	121.9994	0.402	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	N[6](C[6]C[6]H)(C[6]C[6]P)(OCo)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(PO3)	N[6](C[6]C[6]H)(C[6]C[6]P)(OCo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(N[6]C[6]O)(PO3){1|C<3>,2|H<1>}	122.2060	0.000	1	122.2060	0.000	1	122.2060	0.000	1	122.2060	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(O){1|O<1>,4|C<3>}	127.9460	0.000	1	127.9460	0.000	1	127.9892	0.290	5	127.9892	0.290	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O){1|O<1>,2|C<3>}	127.5490	0.526	2	127.9113	0.532	3	127.9892	0.290	5	127.9892	0.290	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O){1|O<1>,2|C<3>}	128.6360	0.000	1	127.9113	0.532	3	127.9892	0.290	5	127.9892	0.290	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O){1|O<1>,2|C<3>}	128.2660	0.000	1	128.2660	0.000	1	127.9892	0.290	5	127.9892	0.290	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:N-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]N)(C[6]N[6]H)(OC)	C[6](C[6]C[6]N)(N[6]C[6]O)(NH)	C[6](N[6]C[6]O)(N[6]C[6])(H)	N[6](C[6]C[6]N)(C[6]N[6]H)(OC){1|C<3>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NH){1|C<2>,1|H<1>,1|N<2>}	C[6](N[6]C[6]O)(N[6]C[6])(H){1|C<2>,1|C<3>,1|N<2>}	125.4830	0.000	1	125.4830	0.000	1	125.4830	0.000	1	125.4830	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	2:3:3:	C[6]-3:C[6]-3:O-2:	C[5a,6]-3:N[6]-3:N-3:	N[6]-2:N[6]-3:N-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){2|N<2>,2|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH){1|C<3>,2|N<3>}	125.6000	0.000	1	125.4885	0.025	2	125.4885	0.025	2	125.4885	0.025	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	2:3:3:	C[6]-3:C[6]-3:O-2:	C[5a,6]-3:N[6]-3:N-3:	N[6]-2:N[6]-3:N-3:	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH){1|C<3>,1|N<2>,1|N<3>}	125.3770	0.000	1	125.4885	0.025	2	125.4885	0.025	2	125.4885	0.025	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(OH)	C[6](C[6]C[6]H)(N[6]C[6]O)(NHH)	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N)(OH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NHH){1|N<2>,2|N<3>}	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	121.0210	0.000	1	121.0210	0.000	1	121.0210	0.000	1	121.0210	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:As-2:	C[6a]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(AsN)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]As)(C[6]C[6]H)	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(AsN){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]As)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7750	0.000	1	120.7750	0.000	1	120.7750	0.000	1	121.4291	0.285	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(OMn)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(OMn){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O){1|Mn<6>,1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.5460	0.000	1	121.5460	0.000	1	121.5460	0.000	1	121.4291	0.285	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(OBi)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OBi){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.7170	0.683	2	121.7170	0.467	2	121.3846	0.259	21	121.4291	0.285	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(OCo)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OCo){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.1472	0.465	4	121.1472	0.216	4	121.3846	0.259	21	121.4291	0.285	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(OFe)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OFe){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|Fe<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.5872	0.297	4	121.5872	0.089	4	121.3846	0.259	21	121.4291	0.285	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(OMn)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OMn){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.3915	0.414	2	120.3915	0.171	2	121.3846	0.259	21	121.4291	0.285	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(ONi)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(ONi){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|Ni<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.6030	0.274	4	121.6030	0.075	4	121.3846	0.259	21	121.4291	0.285	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(OSn)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OSn){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.5018	0.376	5	121.5018	0.142	5	121.3846	0.259	21	121.4291	0.285	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(OFe)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OFe){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.6060	0.000	1	121.6060	0.000	1	121.4537	0.043	4	121.4291	0.285	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|N<3>,2|C<3>}	121.3530	0.000	1	121.3530	0.000	1	121.4537	0.043	4	121.4291	0.285	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(ONi)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(ONi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.4280	0.308	2	121.4280	0.095	2	121.4537	0.043	4	121.4291	0.285	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(OIr)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(OIr){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	122.8040	0.000	1	122.8040	0.000	1	122.8040	0.000	1	121.4291	0.285	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]C)(C[6]C[6]O)(OSn)	C[6](C[6]C[6]H)(N[6]C[6]O)(CNO)	C[6](C[6]C[6]H)(N[6]C[6]O)(OSn)	N[6](C[6]C[6]C)(C[6]C[6]O)(OSn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(OSn){1|H<1>,2|C<3>}	123.5480	0.240	2	123.5480	0.058	2	123.5480	0.058	2	123.5480	0.058	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:Ge-2:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	N[6](C[6]C[6]C)2(GeCl)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN)	N[6](C[6]C[6]C)2(GeCl){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	119.2720	0.000	1	119.2720	0.000	1	119.2720	0.000	1	123.0277	12.360	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)(C[6]N[6]N)(OH)	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	C[6](N[6]C[6]O)2(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){3|N<3>}	C[6](N[6]C[6]O)2(NHH){1|C<3>,2|N<3>}	124.9055	1.887	2	124.9055	3.562	2	124.9055	3.562	2	123.0277	12.360	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:C-4:	C[5a,6]-3:N[6]-3:H-1:	N[6](C[6]C[5a,6]H)(C[6]C[6]C)(NS)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]N)(CC[6a]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]N)(H)	N[6](C[6]C[5a,6]H)(C[6]C[6]C)(NS){3|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]N)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>}	122.8020	0.000	1	122.8020	0.000	1	122.8020	0.000	1	120.8830	1.986	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	121.0290	0.000	1	121.0290	0.000	1	120.2433	0.523	3	120.8830	1.986	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	119.6050	0.000	1	119.8505	0.121	2	120.2433	0.523	3	120.8830	1.986	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	120.0960	0.000	1	119.8505	0.121	2	120.2433	0.523	3	120.8830	1.986	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(NW)	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3)	N[6](C[6]C[6]C)2(NW){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3){1|C<3>,2|C<4>}	122.0430	0.000	2	122.0430	0.000	2	122.0430	0.000	2	122.6157	0.984	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(OB)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)2(OB){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	123.7610	0.000	1	123.7610	0.000	1	123.7610	0.000	1	122.6157	0.984	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]O)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]O)(CC[6a]H)	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]O)(O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]O)(CC[6a]H){1|O<1>,2|C<4>}	125.0990	0.000	1	125.0990	0.000	1	125.0990	0.000	1	125.0990	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]HH)(N[6]C[6]O)(O)	C[6](C[6]C[6]HN)(N[6]C[6]O)(O)	N[6](C[6]C[6]O)2(OC){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]O)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HN)(N[6]C[6]O)(O){1|C<4>,1|O<1>,2|H<1>}	129.1355	0.103	2	129.1355	0.011	2	129.1355	0.011	2	129.1355	0.011	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:O[6]-2:O-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6a]C[6a]2)(C[6]O[6]O)2	C[6](N[6]C[6a]C[6])(O[6]Si[6])(O)	C[6](N[6]C[6a]C[6])(O[6]Si[6])(O)	N[6](C[6a]C[6a]2)(C[6]O[6]O)2{1|Si<4>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(O[6]Si[6])(O){1|Ni<4>,1|O<1>,2|C<3>,2|O<2>}	C[6](N[6]C[6a]C[6])(O[6]Si[6])(O){1|Ni<4>,1|O<1>,2|C<3>,2|O<2>}	125.7260	1.274	3	125.7260	1.622	3	125.7260	1.622	3	125.7260	1.622	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:2:2:	3:2:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6a]C[6a]2)(C[6]N[6]N)2	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a])	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC)	N[6](C[6a]C[6a]2)(C[6]N[6]N)2{2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC){1|C<4>,2|C<3>,2|N<2>}	118.8870	0.000	1	118.6890	0.078	2	118.6890	0.078	2	118.6890	0.078	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:2:2:	3:2:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:N[6]-2:N-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6a]C[6a]2)(C[6]N[6]N)2	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a])	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC)	N[6](C[6a]C[6a]2)(C[6]N[6]N)2{2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a]){1|N<2>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC){2|N<2>,3|C<3>}	118.4910	0.000	1	118.6890	0.078	2	118.6890	0.078	2	118.6890	0.078	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-2:H-1:	N[6](C[6]C[6]H)2(CN[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)(C[6]C[6])(H)	N[6](C[6]C[6]H)2(CN[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,2|H<1>}	C[6](N[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.9150	0.000	1	119.9150	0.000	1	119.9150	0.000	1	124.2680	37.897	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:Se[6]-2:O-1:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]Se[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6](N[6]C[6a]C[6])(Se[6]C[6,6a])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]Se[6]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|Se<2>,1|H<1>,1|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(Se[6]C[6,6a])(O){1|O<1>,4|C<3>}	128.6210	0.000	1	128.6210	0.000	1	128.6210	0.000	1	124.2680	37.897	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6a]-3:C[6]-3:	N[5,6]-3:N[6]-3:S-1:	N[6]-3:N[6]-2:N-2:	N[6](C[6]N[5,6]S)(C[6a]C[6a]2)(C[6]N[6]N)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(S)	C[6](N[6]C[6a]C[6])(N[6]C[5,6])(NC[6a])	N[6](C[6]N[5,6]S)(C[6a]C[6a]2)(C[6]N[6]N){1|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(S){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](N[6]C[6a]C[6])(N[6]C[5,6])(NC[6a]){1|S<1>,2|C<3>,2|N<3>}	123.6190	0.000	2	123.6190	0.000	2	123.6190	0.000	2	123.6190	0.000	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:4:	C[6]-3:N[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:S-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6,6a]S)(N[6a]C[6a]2)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6a]C[6])(S)	C[6](N[6]N[6a]C[6])(N[6]C[6,6a])(CH3)	N[6](C[6]C[6,6a]S)(N[6a]C[6a]2)(C[6]N[6]C){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6a]C[6])(S){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](N[6]N[6a]C[6])(N[6]C[6,6a])(CH3){1|S<1>,4|C<3>}	124.8220	0.000	2	124.8220	0.000	2	124.8220	0.000	2	124.8220	0.000	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	B-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	115.2300	0.000	1	115.2300	0.000	1	115.2300	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	B[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5]O[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]Cl)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]Cl)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)2{2|Cl<1>,3|C<4>}	C[6](N[6]B[5]C[6])(C[6]C[6]Cl)(H){1|C<3>,2|O<2>,3|H<1>}	C[6](N[6]B[5]C[6])(C[6]C[6]Cl)(H){1|C<3>,2|O<2>,3|H<1>}	117.4335	0.491	2	117.4335	0.242	2	116.0217	2.932	4	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	B[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5]O[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|O<2>}	115.1500	0.000	1	115.1500	0.000	1	116.0217	2.932	4	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	B[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5]O[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](N[6]B[5]C[6])(C[6]N[6]H)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](N[6]B[5]C[6])(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C[6](N[6]B[5]C[6])(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	114.0700	0.000	1	114.0700	0.000	1	116.0217	2.932	4	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	B[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5a]N[5a]2)(C[6]C[6]H)2	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]N[5a]2)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|N<3>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|N<3>}	114.2885	0.029	2	115.1110	2.030	3	115.1110	2.030	3	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	B[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5a]N[5a]2)(C[6]C[6]H)2	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]N[5a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	116.7560	0.000	1	115.1110	2.030	3	115.1110	2.030	3	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	B[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	117.1450	0.358	2	117.8588	0.745	4	117.6486	0.779	5	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	B[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[6]2)(C[6]C[6]H)2{3|H<1>,4|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	118.5725	0.261	2	117.8588	0.745	4	117.6486	0.779	5	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	B[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6]O[6]2)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]O[6]2)(C[6]C[6]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	116.8080	0.000	1	116.8080	0.000	1	117.6486	0.779	5	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	B[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6a]O[6a]2)(C[6]C[6]H)2	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	N[6](B[6a]O[6a]2)(C[6]C[6]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>}	118.8670	2.385	4	118.8670	5.689	4	118.8670	5.689	4	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2{1|H<1>,2|O<1>,3|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	121.6950	0.000	1	121.6950	0.000	1	120.1336	1.590	5	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.2440	0.000	1	119.7433	1.105	4	120.1336	1.590	5	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.8200	0.000	1	119.7433	1.105	4	120.1336	1.590	5	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.2980	0.000	1	119.7433	1.105	4	120.1336	1.590	5	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[4]C[4]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	120.6110	0.000	1	119.7433	1.105	4	120.1336	1.590	5	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]2)(C[6]C[6]H)2{1|Br<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.4090	0.000	1	119.3283	2.508	3	120.3073	2.261	6	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	121.1570	0.000	1	119.3283	2.508	3	120.3073	2.261	6	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	118.4190	0.000	1	119.3283	2.508	3	120.3073	2.261	6	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.9955	0.180	2	121.2863	0.270	3	120.3073	2.261	6	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	121.8680	0.000	1	121.2863	0.270	3	120.3073	2.261	6	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O)	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)2{5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	125.4210	0.000	1	125.4210	0.000	1	125.4210	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5a]C[5a]2)(C[6]C[6]H)2	C[6](N[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[5a]C[6])(C[6]C[6]H)(H)	N[6](C[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[5a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](N[6]C[5a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	120.7560	0.000	1	120.7560	0.000	1	120.7560	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:B[5]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(B[5]O[5]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H)	N[6](C[6]C[6,6a]H)(B[5]O[5]2)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H){1|H<1>,2|C<3>,2|O<2>}	116.9550	0.000	1	116.9550	0.000	1	116.9550	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:As-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(AsN[6]2)	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(AsN[6]2){1|C<3>,2|H<1>}	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.1937	0.189	3	118.1937	0.036	3	118.1937	0.036	3	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:N[6]-3:Cl-1:	N[6](C[6]C[6]Cl)2(BCl2)	C[6](C[6]C[6]H)(N[6]C[6]B)(Cl)	C[6](C[6]C[6]H)(N[6]C[6]B)(Cl)	N[6](C[6]C[6]Cl)2(BCl2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	119.3510	0.000	1	119.3510	0.000	1	119.3510	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BBr2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BBr2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.2290	0.731	2	118.2290	0.535	2	117.2138	3.823	13	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[5]B)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[5]B){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	115.2680	0.000	1	115.2680	0.000	1	117.2138	3.823	13	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	116.4270	0.000	1	116.4270	0.000	1	117.2138	3.823	13	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]C)	C[6](C[6]C[6]Cl)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.0930	0.000	1	118.0930	0.000	1	117.2138	3.823	13	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]C)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.1415	0.108	2	118.1415	0.012	2	117.2138	3.823	13	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BCl2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BCl2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	119.1160	0.000	1	119.1160	0.000	1	117.2138	3.823	13	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BClFe)	C[6](C[6]C[6]C)(N[6]C[6]B)(H)	C[6](C[6]C[6]C)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BClFe){3|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]B)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]B)(H){1|C<3>,1|C<4>,2|H<1>}	112.7970	0.000	1	112.7970	0.000	1	117.2138	3.823	13	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BFeN)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BFeN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	118.4010	0.000	1	118.4010	0.000	1	117.2138	3.823	13	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BMn2)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BMn2){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,3|H<1>}	114.3790	0.000	1	114.3790	0.000	1	117.2138	3.823	13	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BMnC)	C[6](C[6]C[6]C)(N[6]C[6]B)(H)	C[6](C[6]C[6]C)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BMnC){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	119.1540	0.000	1	119.1540	0.000	1	117.2138	3.823	13	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BN[6]As)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BN[6]As){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	117.4040	0.000	1	117.4040	0.000	1	117.2138	3.823	13	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	121.7930	0.000	1	121.7930	0.000	1	121.7930	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CC[6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CC[6a]O){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	126.8670	0.000	1	126.8670	0.000	1	126.8670	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.6837	0.151	3	121.6837	0.023	3	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.5550	0.000	1	121.5550	0.000	1	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	121.9905	0.384	2	120.3493	1.837	23	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.1874	0.335	5	120.3493	1.837	23	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	119.1720	0.516	12	120.3493	1.837	23	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.6540	0.000	1	120.3493	1.837	23	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	122.1330	0.234	3	120.3493	1.837	23	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	122.5360	0.000	1	122.5360	0.000	1	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	119.1370	0.000	1	118.8330	0.185	2	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	118.5290	0.000	1	118.8330	0.185	2	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCN)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	118.7320	0.000	1	118.7320	0.000	1	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCO){1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	115.5330	0.000	1	115.5330	0.000	1	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCO)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	115.6543	0.223	6	115.6543	0.050	6	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.7120	0.000	1	120.7120	0.000	1	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	118.7250	0.000	1	118.7250	0.000	1	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CNO){3|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	117.2610	0.000	1	117.2610	0.000	1	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CN[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CN[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.2010	0.000	1	121.2010	0.000	1	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(COO){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	118.6620	0.000	1	118.6620	0.000	1	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	119.2320	0.000	1	118.9060	0.213	2	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	118.5800	0.000	1	118.9060	0.213	2	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(COO)	C[6](C[6]O[6]H)(N[6]C[6]C)(H)	C[6](C[6]O[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(COO){1|O<2>,2|H<1>}	C[6](C[6]O[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]O[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	114.5590	0.000	1	114.5590	0.000	1	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CSS)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CSS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.1120	0.000	1	121.1120	0.000	1	119.4272	4.990	47	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]H)(C[6]C[6]S)(CC[5]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(S)	N[6](C[6]C[6]H)(C[6]C[6]S)(CC[5]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(S){1|C<3>,2|H<1>}	122.5320	0.000	1	122.5320	0.000	1	122.5320	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6]C[6]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	125.9521	0.375	8	125.8091	0.307	9	125.8091	0.307	9	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6]C[6]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	124.6650	0.000	1	125.8091	0.307	9	125.8091	0.307	9	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]C)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	122.4950	0.000	1	122.4950	0.000	1	121.1748	0.951	4	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	121.3280	0.000	1	120.7347	0.264	3	121.1748	0.951	4	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,4|C<3>}	120.4380	0.000	2	120.7347	0.264	3	121.1748	0.951	4	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]C)(N[6]C[6]2)(O)	C[6](C[6]C[6]H)(N[6]C[6]2)(O)	N[6](C[6]C[6]2)(C[6]C[6]O)2{1|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]2)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(O){1|H<1>,1|O<1>,3|C<3>}	124.4440	0.000	1	124.4440	0.000	1	124.4440	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:N[6]-3:O-1:	C[6,6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6](C[6,6]C[3x6]N[6])(N[6]C[6a]C[6])(O)	C[6](C[6,6]C[3x6]C[5,6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]C[3x6]N[6])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6]C[3x6]C[5,6])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,5|C<3>}	122.2220	0.000	1	122.2220	0.000	1	122.2220	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6a]C[6])(O){1|O<1>,6|C<3>}	126.3305	0.811	2	126.3305	0.658	2	125.0009	0.409	37	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	124.9440	0.000	1	124.9249	0.304	35	125.0009	0.409	37	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	125.3610	0.164	3	124.9249	0.304	35	125.0009	0.409	37	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	124.9476	0.739	7	124.9249	0.304	35	125.0009	0.409	37	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	125.1968	0.296	6	124.9249	0.304	35	125.0009	0.409	37	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	125.7500	0.000	1	124.9249	0.304	35	125.0009	0.409	37	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	124.7461	0.460	16	124.9249	0.304	35	125.0009	0.409	37	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	123.8420	0.000	1	124.9249	0.304	35	125.0009	0.409	37	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:S-1:	C[6,6a]-3:N[6]-3:S-1:	N[6](C[6]C[6,6a]S)2(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(S)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(S)	N[6](C[6]C[6,6a]S)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(S){1|H<1>,1|S<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(S){1|H<1>,1|S<1>,5|C<3>}	125.6540	0.257	2	125.6540	0.066	2	125.6540	0.066	2	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ge-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GeCl2)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GeCl2){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ge)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ge)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.0240	0.000	1	117.0240	0.000	1	117.0240	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(NCH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[6,6a]O)2(NCH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	127.0668	0.739	5	127.0668	0.546	5	127.0668	0.546	5	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(NCoC)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)2(NCoC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	120.8280	0.000	1	120.8280	0.000	1	121.2880	0.423	2	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)2(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	121.7480	0.000	1	121.7480	0.000	1	121.2880	0.423	2	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	C[6](C[6]C[6a]N[6])(N[6]C[6]N)(O)	C[6](N[6]C[6]N)(N[6]N[6]H)(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6a]N[6])(N[6]C[6]N)(O){1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6]N)(N[6]N[6]H)(S){1|C<3>,1|O<1>}	125.1990	0.034	2	125.1990	0.001	2	124.8187	0.193	4	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	C[6](C[6]N[6]C)(N[6]C[6]N)(O)	C[6](N[6]C[6]N)(N[6]N[6]H)(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]N[6]C)(N[6]C[6]N)(O){1|N<3>,1|S<1>}	C[6](N[6]C[6]N)(N[6]N[6]H)(S){1|C<3>,1|O<1>}	124.4385	0.018	2	124.4385	0.000	2	124.8187	0.193	4	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OCu2)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OCu2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	122.2925	0.016	2	122.2925	0.000	2	121.8648	0.173	6	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OMn2)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn2){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	121.5590	0.191	2	121.5590	0.036	2	121.8648	0.173	6	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OMn2)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	121.3940	0.000	1	121.7430	0.244	2	121.8648	0.173	6	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(OMn2)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	122.0920	0.000	1	121.7430	0.244	2	121.8648	0.173	6	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(PCP)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PCP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	118.0630	0.239	2	118.0630	0.057	2	118.2225	1.316	6	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(PC[6a]2)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	120.4610	0.000	1	120.4610	0.000	1	118.2225	1.316	6	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(PClN)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PClN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	117.3760	0.000	1	117.3760	0.000	1	118.2225	1.316	6	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(PN[6]N)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PN[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	117.6860	0.409	2	117.6860	0.167	2	118.2225	1.316	6	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P[4]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(P[4]N[4]2)	C[6](N[6]C[6]P[4])(C[6]C[6]H)(H)	C[6](N[6]C[6]P[4])(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(P[4]N[4]2){1|P<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6]P[4])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](N[6]C[6]P[4])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	116.8280	0.349	2	116.8280	0.122	2	116.8280	0.122	2	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O)	C[6](C[6]C[6,6]C[5])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6]C[5])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|S<2>,3|C<3>}	124.5900	0.000	1	124.5900	0.000	1	124.5900	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S){1|O<1>,4|C<3>}	124.1840	0.264	2	124.1840	0.070	2	124.1840	0.070	2	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:S-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(S)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S)	N[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(S){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(S){1|S<1>,4|C<3>}	123.4250	0.000	1	123.4250	0.000	1	123.4250	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	N[5,6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	124.5270	0.000	1	124.5270	0.000	1	124.5270	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]O)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]O)2{1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	126.4450	1.621	2	126.4450	2.627	2	126.4450	2.627	2	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,5|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){2|H<1>,5|C<3>}	121.3710	0.000	1	118.8850	12.360	2	118.8850	12.360	2	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,2|H<1>,5|C<3>}	116.3990	0.000	1	118.8850	12.360	2	118.8850	12.360	2	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[5,6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[5,6a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.9250	0.000	1	118.9250	0.000	1	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	122.1140	0.000	1	122.1140	0.000	1	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H){1|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H){1|H<1>,5|C<3>}	118.1320	0.000	1	118.1320	0.000	1	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	117.4290	0.000	1	117.5990	0.181	4	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	117.6557	0.502	3	117.5990	0.181	4	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	116.5600	0.000	1	116.5600	0.000	1	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	121.3295	0.135	2	120.3644	0.724	56	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	117.4350	0.000	1	120.3644	0.724	56	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.4380	0.000	1	120.3644	0.724	56	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|Cl<1>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.1780	0.000	1	120.3644	0.724	56	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|Cl<1>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	121.5790	0.000	1	120.3644	0.724	56	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	119.2820	0.000	1	120.3644	0.724	56	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.2922	0.696	42	120.3644	0.724	56	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	121.0803	0.592	7	120.3644	0.724	56	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	119.1570	0.000	1	119.2520	0.018	2	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.3470	0.000	1	119.2520	0.018	2	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]N[6a]2)(C[6]C[6]H)2{2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	119.9718	1.031	4	119.9718	1.064	4	120.0704	1.388	70	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])2(O){2|H<1>,6|C<3>}	121.0430	0.000	1	121.0430	0.000	1	121.0430	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[5]C[6])(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5]C[6])(O){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|O<1>,3|C<3>}	121.4690	0.000	1	121.4690	0.000	1	121.4690	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	123.5390	0.000	1	123.5390	0.000	1	123.5390	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	Ge[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ge[4]N[4]2)(C[6]C[6]H)2	C[6](N[6]Ge[4]C[6])(C[6]C[6]H)(H)	C[6](N[6]Ge[4]C[6])(C[6]C[6]H)(H)	N[6](Ge[4]N[4]2)(C[6]C[6]H)2{1|B<3>,2|H<1>,3|C<3>}	C[6](N[6]Ge[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](N[6]Ge[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	116.4030	0.000	1	116.4030	0.000	1	116.4030	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	I-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](IC[6a]N[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	N[6](IC[6a]N[6])(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|N<3>}	118.4260	0.335	2	119.4940	3.478	3	119.4940	3.478	3	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	I-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](IC[6a]N[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	N[6](IC[6a]N[6])(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	121.6300	0.000	1	119.4940	3.478	3	119.4940	3.478	3	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	Si[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Si[6a]N[6a]2)(C[6]C[6]H)2	C[6](N[6]Si[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]Si[6a]C[6])(C[6]C[6]H)(H)	N[6](Si[6a]N[6a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]Si[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](N[6]Si[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	115.9350	0.000	1	115.9350	0.000	1	115.9350	0.000	1	120.8971	9.975	265	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(CFeO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(SFe)	N[6](C[6]C[6]H)(C[6]C[6]S)(CFeO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(SFe){1|C<3>,2|H<1>}	121.9800	0.000	1	121.9800	0.000	1	121.9800	0.000	1	121.7020	0.865	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(OCd)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cd<5>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(OCd){1|N<3>,2|C<3>,2|H<1>}	121.6640	0.000	1	122.4430	1.214	2	122.1197	0.920	3	121.7020	0.865	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(OCd)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cd<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(OCd){1|N<3>,2|C<3>,2|H<1>}	123.2220	0.000	1	122.4430	1.214	2	122.1197	0.920	3	121.7020	0.865	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(OCu)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cu<5>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(OCu){1|N<3>,2|C<3>,2|H<1>}	121.4730	0.000	1	121.4730	0.000	1	122.1197	0.920	3	121.7020	0.865	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(NIrC)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(SIr)	N[6](C[6]C[6]H)(C[6]C[6]S)(NIrC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]N)(SIr){1|C<3>,2|H<1>}	120.4050	0.000	1	120.4050	0.000	1	120.4050	0.000	1	121.7020	0.865	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(NS)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(C[6]C[6]N){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,2|N<2>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(NS){1|H<1>,1|N<2>,3|C<3>}	122.7260	0.000	1	122.7260	0.000	1	122.7260	0.000	1	121.7020	0.865	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	I-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]I)(OC)	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]I)(OC){1|C<3>,2|H<1>}	121.0730	0.307	2	121.0730	0.094	2	121.0730	0.094	2	121.7020	0.865	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[4]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]N)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]O)(NCH)	N[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]N){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]O)(NCH){2|H<1>,3|C<3>}	120.9950	0.000	1	120.9950	0.000	1	120.9950	0.000	1	121.4701	0.918	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(BClOs)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NOsC)	N[6](C[6]C[6]H)(C[6]C[6]N)(BClOs){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NOsC){1|C<3>,2|H<1>}	119.6500	0.000	1	119.6500	0.000	1	120.2245	0.660	2	121.4701	0.918	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(BOsO)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NOsH)	N[6](C[6]C[6]H)(C[6]C[6]N)(BOsO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NOsH){1|C<3>,2|H<1>}	120.7990	0.000	1	120.7990	0.000	1	120.2245	0.660	2	121.4701	0.918	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(NC[6a]H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]N){3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(NC[6a]H){2|H<1>,3|C<3>}	121.9480	0.000	1	121.9480	0.000	1	121.9480	0.000	1	121.4701	0.918	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-3:	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PC[6a]2)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P){2|H<1>,2|O<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PC[6a]2){2|H<1>,3|C<3>}	122.4330	0.000	1	122.4330	0.000	1	122.0923	0.221	4	121.4701	0.918	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PCl2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P){3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PCl2){1|N<2>,2|C<3>,2|H<1>}	122.4320	0.000	1	122.4320	0.000	1	122.0923	0.221	4	121.4701	0.918	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PN[5a]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P){3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PN[5a]2){1|N<2>,2|C<3>,2|H<1>}	121.7520	0.445	2	121.7520	0.198	2	122.0923	0.221	4	121.4701	0.918	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	120.2740	0.274	2	120.2740	0.075	2	120.2740	0.075	2	121.4560	3.562	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:C-4:	N[6](C[6]C[6,6a]O)(C[6]N[6]C)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	C[6](N[6]C[6,6a]H)(N[6]C[6]N)(CH3)	N[6](C[6]C[6,6a]O)(C[6]N[6]C)(NHH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]N)(CH3){1|O<1>,2|C<3>}	124.0600	0.000	1	124.0600	0.000	1	124.0600	0.000	1	121.4560	3.562	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3){1|C<3>,2|H<1>}	122.9980	0.000	1	122.9980	0.000	1	122.9980	0.000	1	121.4560	3.562	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn2)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	122.0130	0.000	1	122.0130	0.000	1	122.0130	0.000	1	121.4560	3.562	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){2|H<1>,4|C<3>}	119.1170	0.000	1	119.1170	0.000	1	119.1170	0.000	1	121.4560	3.562	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|O<1>,4|C<3>}	123.4960	0.000	1	123.4960	0.000	1	123.4960	0.000	1	123.4960	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	123.6645	0.555	4	123.6645	0.309	4	124.0830	0.606	6	124.0830	0.606	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|Br<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	124.9080	0.000	1	124.9200	0.000	2	124.0830	0.606	6	124.0830	0.606	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	124.9320	0.000	1	124.9200	0.000	2	124.0830	0.606	6	124.0830	0.606	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N-2:	N[6]-3:N[6]-2:O-2:	N[6](C[6]C[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6a]C[6])(NH)	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(OC)	N[6](C[6]C[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6a]C[6])(NH){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(OC){1|N<2>,1|N<3>,3|C<3>}	122.1655	0.189	2	122.1655	0.036	2	122.1655	0.036	2	121.6457	0.829	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N-2:	N[6]-3:N[6]-2:C-2:	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CN)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CN){1|N<2>,4|C<3>}	120.6060	0.000	1	120.6060	0.000	1	120.6060	0.000	1	121.6457	0.829	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N-2:	N[6]-3:N[6]-2:N[5]-3:	N[6](C[6]C[6,6a]N)(C[6]N[5]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(N[5]C[5]2)	N[6](C[6]C[6,6a]N)(C[6]N[5]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(N[5]C[5]2){1|N<2>,2|C<4>,4|C<3>,4|H<1>}	110.2620	0.000	1	110.2620	0.000	1	110.2620	0.000	1	115.9445	64.582	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:N[6]-3:N-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6]N[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]N)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a])	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(NC[6a]H)	N[6](C[6]N[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]N){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a]){1|N<3>,2|N<2>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(NC[6a]H){1|N<3>,2|C<3>,2|N<2>}	121.6270	0.000	1	121.6270	0.000	1	121.6270	0.000	1	115.9445	64.582	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:2:4:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N-2:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3){1|N<2>,4|C<3>}	122.4885	0.026	2	122.4885	0.001	2	122.4885	0.001	2	122.4885	0.001	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:O[6]-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6])	C[6](N[6]C[6a]B[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|B<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|O<1>,2|F<1>,6|C<3>}	C[6](N[6]C[6a]B[6])(N[6]C[6a]C[6])(O){1|O<2>,7|C<3>}	122.6370	0.000	1	122.6370	0.000	1	122.4115	0.102	2	122.4115	0.102	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:O[6]-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6])	C[6](N[6]C[6a]C[6])(N[6]B[6]C[6])(O)	N[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|B<4>,1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,1|O<1>,2|F<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(N[6]B[6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	122.1860	0.000	1	122.1860	0.000	1	122.4115	0.102	2	122.4115	0.102	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N-2:	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|H<1>,1|N<2>,5|C<3>}	120.7910	0.000	1	121.4437	0.230	4	121.4437	0.230	4	121.4437	0.230	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N-2:	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|H<1>,1|N<2>,5|C<3>}	121.6613	0.246	3	121.4437	0.230	4	121.4437	0.230	4	121.4437	0.230	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N-2:	N[6]-3:C[6]-3:N-3:	N[6](C[6a]C[6a]2)(C[6]C[6]N)2	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(NS)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	N[6](C[6a]C[6a]2)(C[6]C[6]N)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(NS){1|H<1>,1|N<3>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,3|C<3>}	124.6860	0.000	1	124.6860	0.000	1	124.6860	0.000	1	124.6860	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CN)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CN){1|O<1>,2|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<2>,2|C<4>,3|C<3>}	119.0270	0.000	1	119.0270	0.000	1	119.0270	0.000	1	119.0270	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N-2:	C[3,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]N)(C[6]C[3,6]O)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	C[6](C[3,6]C[6,6a]C[3]O[3])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]N)(C[6]C[3,6]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[3,6]C[6,6a]C[3]O[3])(N[6]C[6a]C[6])(O){1|N<2>,5|C<3>}	124.8270	0.000	1	124.8270	0.000	1	124.8270	0.000	1	124.8270	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-3:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6]2)(CHH)	C[6](N[6]C[6]2)(N[6]C[6])(O)	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(CHH){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[6](N[6]C[6]2)(N[6]C[6])(O){1|C<2>,1|C<4>,3|C<3>}	121.6920	0.000	1	121.6920	0.000	1	121.6920	0.000	1	121.0003	0.917	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:N-3:	N[6]-3:N[6]-2:Cl-1:	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(Cl)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]Cl){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(Cl){1|N<3>,4|C<3>}	119.1040	0.000	1	119.1040	0.000	1	119.1040	0.000	1	121.0003	0.917	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-2:Se-1:	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se){1|O<2>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Se<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se){1|C<4>,4|C<3>}	121.3525	0.340	2	121.2850	0.072	3	121.2850	0.072	3	121.0003	0.917	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-2:Se-1:	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se){3|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Se<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se){1|C<4>,4|C<3>}	121.1500	0.000	1	121.2850	0.072	3	121.2850	0.072	3	121.0003	0.917	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:N[6]-2:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]C[6])(N[6]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(O){1|C<4>,4|C<3>}	121.3510	0.000	1	121.3510	0.000	1	121.3510	0.000	1	121.0003	0.917	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(NC[6a]H)	N[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(NC[6a]H){5|C<3>}	120.5960	0.000	1	120.5960	0.000	1	120.5960	0.000	1	120.5960	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:4:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-3:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CF3)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CF3){5|C<3>}	118.5850	0.000	1	118.5850	0.000	1	118.5850	0.000	1	118.5850	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:B[5]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6a]C[6])(B[5]O[5]2)(C[6]C[6]H)	C[6](N[6]B[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(B[5]O[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]B[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|O<2>,3|C<3>,5|H<1>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>}	115.8260	0.000	1	115.8260	0.000	1	115.8260	0.000	1	120.8135	12.898	21	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]C[6]H)(N[6]C[6]B)(CHN)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	114.8200	0.000	1	114.8200	0.000	1	113.2890	4.688	2	120.8135	12.898	21	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN)	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|B<3>,2|C<3>}	111.7580	0.000	1	111.7580	0.000	1	113.2890	4.688	2	120.8135	12.898	21	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(CCC)	C[6](C[6]C[6,6a]Br)(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(CCC){1|Br<1>,4|C<3>}	C[6](C[6]C[6,6a]Br)(C[6a]C[6a]2)(N[6]C[6]C){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|H<1>,4|C<3>}	121.3735	0.196	2	121.3735	0.038	2	121.3735	0.038	2	120.8135	12.898	21	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]O[6]H)(N[6]C[6]C)(COO)	C[6](C[6]O[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|O<2>,2|H<1>}	C[6](C[6]O[6]H)(N[6]C[6]C)(COO){1|C<3>,1|H<1>}	C[6](C[6]O[6]H)(N[6]C[6]C)(H){2|C<3>}	114.3490	0.000	1	114.3490	0.000	1	114.3490	0.000	1	120.8135	12.898	21	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	121.1250	0.000	1	121.1250	0.000	1	121.1250	0.000	1	120.8135	12.898	21	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]2)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(H){1|C<4>,6|C<3>}	123.1450	0.000	1	123.1450	0.000	1	123.1450	0.000	1	120.8135	12.898	21	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|C<4>,7|C<3>}	C[6](C[6]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	121.9660	0.000	1	121.9660	0.000	1	121.5825	0.294	2	120.8135	12.898	21	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]C[6,6a]Pd)(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|Pd<4>,2|C<4>,6|C<3>}	C[6](C[6]C[6,6a]Pd)(N[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	121.1990	0.000	1	121.1990	0.000	1	121.5825	0.294	2	120.8135	12.898	21	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	121.2385	0.289	2	121.2385	0.084	2	121.2385	0.084	2	120.8135	12.898	21	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCH)	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H){3|C<3>}	124.7760	0.000	1	124.7760	0.000	1	124.7760	0.000	1	120.8135	12.898	21	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(NC[6a]H)	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(N[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(NC[6a]H){1|Pd<4>,4|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(N[6]C[6]N){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|N<3>,3|C<3>}	123.8810	0.000	1	123.8810	0.000	1	123.8810	0.000	1	120.8135	12.898	21	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:N[6]-3:C[6a]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,2|N<3>,2|O<1>,6|C<3>}	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,7|C<3>}	120.9265	0.013	2	120.9265	0.000	2	120.9265	0.000	2	120.8135	12.898	21	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCH)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){5|C<3>}	124.2883	0.198	3	124.2883	0.039	3	124.2883	0.039	3	120.8135	12.898	21	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){5|C<3>}	122.1485	0.489	2	122.1485	0.239	2	122.1485	0.239	2	120.8135	12.898	21	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N-3:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH){1|H<1>,1|N<2>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	120.6460	0.000	1	120.9040	0.133	2	120.9040	0.133	2	120.9040	0.133	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:N-3:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NHH){1|H<1>,1|N<2>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	121.1620	0.000	1	120.9040	0.133	2	120.9040	0.133	2	120.9040	0.133	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:B-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])2(BBr2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	N[6](C[6]C[6a]C[6])2(BBr2){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){1|H<1>,2|C<4>,4|C<3>}	121.9070	0.191	2	121.9070	0.036	2	121.9070	0.036	2	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:B[5a]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6](C[6]C[6a]C[6])2(B[5a]O[5a]2)	C[6](N[6]B[5a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]B[5a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])2(B[5a]O[5a]2){2|H<1>,7|C<3>}	C[6](N[6]B[5a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6](N[6]B[5a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	122.7300	0.000	1	122.7300	0.000	1	122.7300	0.000	1	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])2(C[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]2)	N[6](C[6]C[6a]C[6])2(C[6]C[6]2){4|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]2){2|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]2){2|H<1>,7|C<3>}	120.2369	0.350	10	120.2369	0.122	10	120.2369	0.122	10	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	120.5110	0.000	1	119.1703	8.568	3	119.1703	8.568	3	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	118.5000	3.800	2	119.1703	8.568	3	119.1703	8.568	3	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:Ga-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	N[6](C[6]C[6]C)2(GaCl2)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN)	N[6](C[6]C[6]C)2(GaCl2){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	121.7040	0.000	1	121.7040	0.000	1	121.0323	0.616	4	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:Ga-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	N[6](C[6]C[6]C)2(GaII)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN)	N[6](C[6]C[6]C)2(GaII){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	121.5500	0.000	1	121.5500	0.000	1	121.0323	0.616	4	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:Ga-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	N[6](C[6]C[6]C)2(GaII)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N)	N[6](C[6]C[6]C)2(GaII){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	120.4375	0.650	2	120.4375	0.422	2	121.0323	0.616	4	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[5]C[6])(C[6]C[6]N)(NHH)	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N)	C[6](C[6]C[6]C)(N[6]C[6]N)(NHH)	N[6](C[6]C[5]C[6])(C[6]C[6]N)(NHH){1|C<2>,1|H<1>,3|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]N)(NHH){3|C<3>}	123.0900	0.003	2	123.0900	0.000	2	123.0900	0.000	2	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[5a]-3:N[6]-3:	C[6]-3:C[6a]-3:N[6]-3:	N[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6])(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]N)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)	N[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6])(NHH){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]N){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N){2|H<1>,5|C<3>}	123.3660	0.000	1	123.3660	0.000	1	123.3660	0.000	1	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[5]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6](C[6]C[6a]C[6])2(N[5]C[5]2)	C[6](N[6]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])2(N[5]C[5]2){2|H<1>,2|O<1>,7|C<3>}	C[6](N[6]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](N[6]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	122.4900	0.000	1	122.4900	0.000	1	122.4900	0.000	1	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO){6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO){6|C<3>}	118.7450	0.000	1	118.7450	0.000	1	118.7450	0.000	1	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:N-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	119.5050	0.000	1	119.4775	0.002	2	119.4327	0.336	8	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:N-3:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N){1|C<4>,1|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	119.4500	0.000	1	119.4775	0.002	2	119.4327	0.336	8	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:N-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	119.8510	0.000	1	119.4178	0.469	6	119.4327	0.336	8	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:N-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	118.6475	0.042	2	119.4178	0.469	6	119.4327	0.336	8	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:N-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	119.7870	0.530	3	119.4178	0.469	6	119.4327	0.336	8	120.5090	2.385	33	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	N[6]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(C[6]C[6]2)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<4>,6|C<3>}	C[6](N[6]C[6a]C[6])2(C[6]C[6]2){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	121.7340	0.731	6	121.7340	0.534	6	121.7340	0.534	6	121.7937	0.470	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-4:S-1:	N[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(S)	N[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]S){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(S){1|H<1>,1|N<3>,4|C<3>}	122.1520	0.000	1	122.1520	0.000	1	122.1520	0.000	1	121.7937	0.470	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-4:N-2:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(NH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(NH){1|H<1>,5|C<3>}	122.0830	0.000	1	122.0830	0.000	1	122.0830	0.000	1	122.0830	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-4:C-3:	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(CCH)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(CCH){1|S<4>,4|C<3>}	120.3730	0.000	1	120.3730	0.000	1	120.3730	0.000	1	120.3730	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]2){1|Fe<10>,2|H<1>,3|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2){1|Fe<10>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6a]C[6])(O){1|H<1>,2|C<4>,4|C<3>}	124.3995	0.743	2	124.3995	0.552	2	124.3995	0.552	2	123.3710	3.450	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(O){1|H<1>,7|C<3>}	121.3140	0.000	1	121.3140	0.000	1	121.3140	0.000	1	123.3710	3.450	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-2:S-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6])(S)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]N[6]S){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(S){2|C<4>,3|C<3>}	121.1810	0.000	1	121.1810	0.000	1	121.1810	0.000	1	121.1810	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	114.7272	0.434	4	114.7272	0.188	4	114.7108	0.134	6	120.0020	7.891	30	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	114.6780	0.318	2	114.6780	0.101	2	114.7108	0.134	6	120.0020	7.891	30	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:N[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CH3)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]C)(H)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CH3){2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]C)(H){1|C<4>,4|C<3>}	122.5840	0.000	1	122.5840	0.000	1	122.5840	0.000	1	120.0020	7.891	30	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H){1|H<1>,3|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])2(H){1|C<4>,2|H<1>,5|C<3>}	119.6330	0.000	1	119.6330	0.000	1	119.6330	0.000	1	120.0020	7.891	30	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){2|C<4>,3|C<3>}	122.9127	0.528	3	122.9127	0.279	3	122.9127	0.279	3	120.0020	7.891	30	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){1|H<1>,2|C<4>,3|C<3>}	122.0790	0.000	1	122.0790	0.000	1	121.0969	0.257	19	120.0020	7.891	30	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	120.4440	0.000	1	121.0423	0.213	18	121.0969	0.257	19	120.0020	7.891	30	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	121.3320	0.000	1	121.0423	0.213	18	121.0969	0.257	19	120.0020	7.891	30	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	121.1410	0.000	1	121.0423	0.213	18	121.0969	0.257	19	120.0020	7.891	30	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	120.8936	0.304	9	121.0423	0.213	18	121.0969	0.257	19	120.0020	7.891	30	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	121.2978	0.691	4	121.0423	0.213	18	121.0969	0.257	19	120.0020	7.891	30	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	120.8640	0.000	1	121.0423	0.213	18	121.0969	0.257	19	120.0020	7.891	30	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]S){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(S){3|C<3>,3|C<4>}	121.7480	0.000	1	121.0423	0.213	18	121.0969	0.257	19	120.0020	7.891	30	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	B[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	N[6](B[6]C[6]2)(C[6]C[6]C)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CH3)	N[6](B[6]C[6]2)(C[6]C[6]C)2{3|C<3>,4|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	120.7850	0.000	1	120.7850	0.000	1	120.7850	0.000	1	121.5716	0.310	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	B[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	N[6](B[6a]O[6a]2)(C[6]C[6]C)2	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(CH3)	N[6](B[6a]O[6a]2)(C[6]C[6]C)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	121.8750	0.410	2	121.8750	0.168	2	121.8750	0.168	2	121.5716	0.310	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:B-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(BCl2)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	N[6](C[6]C[6]C)2(BCl2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,1|C<4>,1|H<1>}	122.0160	0.000	1	122.0160	0.000	1	122.0160	0.000	1	121.5716	0.310	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	N[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	N[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	121.3070	0.000	1	121.3070	0.000	1	121.3070	0.000	1	121.5716	0.310	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:N[6]-3:C-4:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6a]C[6])(CH3)	C[6](N[6]C[6a]C[6])(C[6]N[5,6]CH)(O)	N[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6a]C[6])(CH3){1|C<4>,1|O<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[5,6]CH)(O){1|C<4>,4|C<3>}	122.9820	0.000	1	122.9820	0.000	1	122.9820	0.000	1	122.0120	1.882	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O){1|C<4>,4|C<3>}	121.0420	0.000	1	121.0420	0.000	1	121.0420	0.000	1	122.0120	1.882	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(COO){2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	119.0430	0.000	1	119.0430	0.000	1	119.0430	0.000	1	122.3983	8.444	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	124.0760	0.016	2	124.0760	0.000	2	124.0760	0.000	2	122.3983	8.444	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:2:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]O[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](N[6]C[6a]C[6])(O[6]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]C[6])(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	123.9580	0.000	1	123.9580	0.000	1	123.9580	0.000	1	123.9580	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:2:2:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:S[6]-2:N-2:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	127.1063	0.120	3	127.1063	0.014	3	127.1063	0.014	3	127.1063	0.014	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:2:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-2:C-3:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CCC)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){3|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<2>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(CCC){1|C<4>,2|C<3>,2|O<1>}	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:Br-1:	N[6](C[6a]C[6a]2)(C[6]N[6]Br)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])2(Br)	N[6](C[6a]C[6a]2)(C[6]N[6]Br)(C[6]C[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])2(Br){1|C<4>,2|O<1>,4|C<3>}	122.0120	0.420	2	122.0120	0.176	2	122.0120	0.176	2	124.0135	2.723	15	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]H){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])2(H){1|C<4>,2|O<1>,4|C<3>}	121.1715	0.463	2	121.1715	0.215	2	121.1715	0.215	2	124.0135	2.723	15	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){2|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,2|C<3>,2|O<1>}	124.9630	0.000	1	124.9630	0.000	1	125.2624	0.285	7	124.0135	2.723	15	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6a]C[6])2(O){1|C<4>,2|O<1>,4|C<3>}	125.1200	0.140	2	125.1200	0.020	2	125.2624	0.285	7	124.0135	2.723	15	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){2|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])2(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	125.0945	0.943	2	125.0945	0.888	2	125.2624	0.285	7	124.0135	2.723	15	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]ClC)(O)	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]ClC)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6a]C[6])2(O){1|C<4>,2|O<1>,4|C<3>}	125.7225	0.439	2	125.7225	0.193	2	125.2624	0.285	7	124.0135	2.723	15	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(S)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S){2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(S){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	124.2305	0.496	2	124.2305	0.246	2	124.2495	0.236	4	124.0135	2.723	15	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(S)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(S){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	124.2685	0.678	2	124.2685	0.460	2	124.2495	0.236	4	124.0135	2.723	15	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:2:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:C-2:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])2(CN)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])2(CN){1|C<4>,2|O<1>,4|C<3>}	123.1924	0.903	7	123.1924	0.815	7	123.1924	0.815	7	123.3398	0.923	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:2:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:P-2:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]P)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])2(PC[6a])	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]P){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<2>,2|C<3>}	C[6](N[6]C[6a]C[6])2(PC[6a]){1|C<4>,2|O<1>,4|C<3>}	123.8555	1.346	2	123.8555	1.811	2	123.8555	1.811	2	123.3398	0.923	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:B-3:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])2(BC[6a]Br)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])2(BC[6a]Br){1|C<4>,2|O<1>,4|C<3>}	123.3990	0.470	2	123.3990	0.220	2	123.4373	0.093	6	122.6852	1.285	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:B-3:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])2(BClN)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])2(BClN){1|C<4>,2|O<1>,4|C<3>}	123.4565	0.283	4	123.4565	0.080	4	123.4373	0.093	6	122.6852	1.285	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])2(CC[6a]O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])2(CC[6a]O){1|C<4>,2|O<1>,4|C<3>}	121.2592	0.891	4	121.2592	0.793	4	122.2340	1.487	10	122.6852	1.285	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])2(CHH)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])2(CHH){1|C<4>,2|O<1>,4|C<3>}	123.6410	0.008	2	123.6410	0.000	2	122.2340	1.487	10	122.6852	1.285	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])2(CP[5,5]C)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])2(CP[5,5]C){1|C<4>,2|O<1>,4|C<3>}	121.7850	0.850	2	121.7850	0.722	2	122.2340	1.487	10	122.6852	1.285	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])2(CP[5]C)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])2(CP[5]C){1|C<4>,2|O<1>,4|C<3>}	123.2255	0.384	2	123.2255	0.147	2	122.2340	1.487	10	122.6852	1.285	16	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:B-4:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])2(BC[6a]Br2)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])2(BC[6a]Br2){1|C<4>,2|O<1>,4|C<3>}	124.2250	0.519	2	124.2250	0.269	2	124.0810	0.250	6	124.0810	0.250	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:B-4:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])2(BCl3)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])2(BCl3){1|C<4>,2|O<1>,4|C<3>}	123.6105	0.520	2	123.6105	0.270	2	124.0810	0.250	6	124.0810	0.250	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:N[6]-3:B-4:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](N[6]C[6a]C[6])2(BF3)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])2(BF3){1|C<4>,2|O<1>,4|C<3>}	124.4075	0.111	2	124.4075	0.012	2	124.0810	0.250	6	124.0810	0.250	6	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6,6]-4:S-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6,6]S)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(S)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6]C[6,6]S)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(S){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	124.9390	0.000	1	124.9390	0.000	1	124.9390	0.000	1	124.3722	0.729	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	124.0310	0.000	1	124.0310	0.000	1	124.2913	0.789	7	124.3722	0.729	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	124.3440	0.450	2	124.3440	0.202	2	124.2913	0.789	7	124.3722	0.729	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	123.3630	0.000	1	123.3630	0.000	1	124.2913	0.789	7	124.3722	0.729	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<3>,1|N<2>,1|N<3>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|O<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|O<1>,2|C<3>,2|C<4>}	124.1590	0.000	1	124.1590	0.000	1	124.2913	0.789	7	124.3722	0.729	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{2|C<3>,2|O<2>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,1|O<1>,2|C<3>}	123.7070	0.000	1	123.7070	0.000	1	124.2913	0.789	7	124.3722	0.729	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]N[6a]2)(C[6]C[6]O)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]N[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	126.0910	0.000	1	126.0910	0.000	1	124.2913	0.789	7	124.3722	0.729	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:P-4:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P)	C[6](N[6]C[6a]C[6])(PC[6a]2Au)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P){2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(PC[6a]2Au)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|P<4>,3|C<3>}	121.8700	0.000	1	121.8700	0.000	1	121.8700	0.000	1	121.8700	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:C-3:	N[6]-3:C[6]-4:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CHH)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CHH){1|O<1>,2|C<3>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){3|C<3>,3|C<4>}	124.7200	0.000	1	124.7200	0.000	1	124.7200	0.000	1	124.7200	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:4:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-4:C-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CHH)	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CHH){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(O){1|C<4>,5|C<3>}	123.9610	0.000	1	123.9610	0.000	1	123.9610	0.000	1	123.9610	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	123.0850	0.000	1	123.7335	0.841	2	123.7335	0.841	2	122.3438	2.894	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	124.3820	0.000	1	123.7335	0.841	2	123.7335	0.841	2	122.3438	2.894	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	120.9540	0.338	2	120.9540	0.114	2	120.9540	0.114	2	122.3438	2.894	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:C[6]-3:N-2:	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NH)	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NH){1|O<1>,2|C<3>,2|C<4>}	124.2910	0.000	1	124.2910	0.000	1	124.2910	0.000	1	124.2910	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O){1|C<4>,1|O<1>,4|C<3>}	124.6260	0.000	1	124.6260	0.000	1	124.1445	0.464	2	124.1445	0.464	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:C[6]-4:O-1:	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|O<1>,3|C<3>,4|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	123.6630	0.000	1	123.6630	0.000	1	124.1445	0.464	2	124.1445	0.464	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(CC[6a]O)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	124.2330	0.000	1	124.2330	0.000	1	124.2330	0.000	1	124.5577	0.898	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	122.8970	0.000	1	122.8970	0.000	1	123.7122	0.200	6	124.5577	0.898	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	C[6](C[5,6]C[5,6]C[5]Si)(N[6]C[6a]C[6])(O)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]Si)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	123.9315	0.215	4	123.9315	0.046	4	123.7122	0.200	6	124.5577	0.898	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	123.6500	0.000	1	123.6500	0.000	1	123.7122	0.200	6	124.5577	0.898	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|H<1>,2|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	125.6948	0.436	6	125.5396	0.219	8	125.1135	0.686	11	124.5577	0.898	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	125.0740	0.079	2	125.5396	0.219	8	125.1135	0.686	11	124.5577	0.898	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	123.9460	0.000	1	123.9460	0.000	1	125.1135	0.686	11	124.5577	0.898	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	123.9930	0.024	2	123.9930	0.001	2	125.1135	0.686	11	124.5577	0.898	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:S-1:	N[6](C[6]C[6,6]O)(C[6]C[6,6]S)(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(S)	N[6](C[6]C[6,6]O)(C[6]C[6,6]S)(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O){1|S<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(S){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	123.8410	0.000	1	123.8410	0.000	1	123.8410	0.000	1	124.5577	0.898	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C[6](N[6]C[6]C)(N[6]C[6])(O)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|Br<1>,1|C<3>}	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	121.4960	0.000	1	121.4960	0.000	1	120.8828	0.651	6	121.7116	1.972	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C[6](N[6]C[6]C)(N[6]C[6])(O)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|C<4>}	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	121.1930	0.000	1	121.1930	0.000	1	120.8828	0.651	6	121.7116	1.972	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C[6](N[6]C[6]C)(N[6]C[6])(O)	C[6](C[6]C[6]F)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|F<1>}	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]F)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	119.8700	0.139	2	119.8700	0.019	2	120.8828	0.651	6	121.7116	1.972	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C[6](N[6]C[6]C)(N[6]C[6])(O)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	121.2080	0.000	1	121.2080	0.000	1	120.8828	0.651	6	121.7116	1.972	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(CC[5a]HH)	C[6](N[6]C[6]C)(N[6]C[6])(O)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CC[5a]HH){1|C<3>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	121.6600	0.000	1	121.6600	0.000	1	120.8828	0.651	6	121.7116	1.972	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-2:S-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]N[6]S)2(CH3)	C[6](N[6]C[6]C)(N[6]C[6])(S)	C[6](N[6]C[6]C)2(S)	N[6](C[6]N[6]S)2(CH3){1|C<3>,1|C<4>}	C[6](N[6]C[6]C)(N[6]C[6])(S){1|N<3>,1|S<1>,1|S<2>}	C[6](N[6]C[6]C)2(S){1|N<2>,1|S<1>,1|S<2>}	123.3690	0.281	3	123.3690	0.079	3	123.3690	0.079	3	121.7116	1.972	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-2:O-2:	N[6]-3:N[6]-2:S-1:	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3)	C[6](N[6]C[6]C)(N[6]C[6])(OC)	C[6](N[6]C[6]C)(N[6]C[6])(S)	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3){1|C<3>}	C[6](N[6]C[6]C)(N[6]C[6])(OC){1|N<2>,1|O<2>,1|S<1>}	C[6](N[6]C[6]C)(N[6]C[6])(S){1|N<2>,2|O<2>}	118.8600	0.000	1	118.5840	0.079	3	118.5840	0.079	3	118.9510	0.591	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-2:O-2:	N[6]-3:N[6]-2:S-1:	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3)	C[6](N[6]C[6]C)(N[6]C[6])(OC)	C[6](N[6]C[6]C)(N[6]C[6])(S)	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3){1|C<3>}	C[6](N[6]C[6]C)(N[6]C[6])(OC){1|N<2>,1|S<1>,1|S<2>}	C[6](N[6]C[6]C)(N[6]C[6])(S){1|N<2>,1|O<2>,1|S<2>}	118.4460	0.209	2	118.5840	0.079	3	118.5840	0.079	3	118.9510	0.591	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-2:S-2:	N[6]-3:N[6]-2:S-1:	N[6](C[6]N[6]S)2(CH3)	C[6](N[6]C[6]C)(N[6]C[6])(SC)	C[6](N[6]C[6]C)(N[6]C[6])(S)	N[6](C[6]N[6]S)2(CH3){1|C<3>}	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|N<2>,1|S<1>,1|S<2>}	C[6](N[6]C[6]C)(N[6]C[6])(S){1|N<2>,2|S<2>}	120.0520	0.000	1	120.0520	0.000	1	120.0520	0.000	1	118.9510	0.591	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-2:S-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]N[6]S)2(CH3)	C[6](N[6]C[6]C)(N[6]C[6])(SC)	C[6](N[6]C[6]C)2(S)	N[6](C[6]N[6]S)2(CH3){1|C<3>,1|C<4>}	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|N<3>,2|S<1>}	C[6](N[6]C[6]C)2(S){1|N<2>,1|S<1>,1|S<2>}	120.0407	0.484	3	120.0407	0.235	3	120.0407	0.235	3	120.0407	0.235	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]N)(CHHP)	C[6](N[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(CHHP){1|C<3>,1|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,2|N<3>}	118.6525	0.029	2	118.6525	0.001	2	118.6525	0.001	2	118.6525	0.001	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]C)(CC[6]HH)	C[6](N[6]C[6]C)(N[6]C[6])(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]C)(CC[6]HH){1|C<3>,1|C<4>}	C[6](N[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>}	119.4010	0.658	4	119.4010	0.433	4	119.4010	0.433	4	119.1736	0.583	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-2:C-4:	N[6]-3:N[6]-3:H-1:	N[6](C[6]N[6]C)(C[6]N[6]H)(CCCH)	C[6](N[6]C[6]C)(N[6]B[6])(CH3)	C[6](N[6]B[6]C)(N[6]C[6]C)(H)	N[6](C[6]N[6]C)(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>}	C[6](N[6]C[6]C)(N[6]B[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]B[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,2|C<3>}	118.2640	0.000	1	118.2640	0.000	1	118.2640	0.000	1	119.1736	0.583	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:N[6]-3:S-1:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(S)	C[6](N[6]C[5a,6])(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(CC[6a]HH){2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(S){1|N<3>,2|H<1>,2|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]C)(H){1|C<3>,1|N<3>,1|S<1>}	122.1160	0.000	1	122.1160	0.000	1	122.1160	0.000	1	120.4557	2.480	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:H-1:	O[6]-2:N[6]-3:O-1:	N[6](C[6]N[6]H)(C[6]O[6]O)(CCCH)	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H)	C[6](O[6]B[3x6])(N[6]C[6]C)(O)	N[6](C[6]N[6]H)(C[6]O[6]O)(CCCH){1|B<4>,1|C<4>}	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](O[6]B[3x6])(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<4>}	119.6255	0.909	2	119.6255	0.826	2	119.6255	0.826	2	120.4557	2.480	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	2:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	O[6]-2:N[6]-3:N-2:	N[6](C[6]C[6,6a]O)(C[6]O[6]N)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6](O[6]C[6,6a])(N[6]C[6]C)(NC[6a])	N[6](C[6]C[6,6a]O)(C[6]O[6]N)(CC[6a]HH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6]C)(NC[6a]){1|O<1>,2|C<3>}	124.7690	0.000	1	124.7690	0.000	1	124.7690	0.000	1	124.7690	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:D-1:	N[6]-3:C[6]-2:D-1:	N[6](C[6]C[6]D)2(CC[6a]HH)	C[6](C[6]C[6]D)(N[6]C[6]C)(D)	C[6](N[6]C[6]C)(C[6]C[6])(D)	N[6](C[6]C[6]D)2(CC[6a]HH){1|C<3>,1|D<1>}	C[6](C[6]C[6]D)(N[6]C[6]C)(D){1|C<2>,2|D<1>}	C[6](N[6]C[6]C)(C[6]C[6])(D){1|C<3>,2|D<1>}	120.5780	0.000	1	120.5780	0.000	1	120.5780	0.000	1	121.0501	1.655	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-2:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)(C[6]C[6])(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]C)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.2780	0.000	1	120.2780	0.000	1	121.2794	0.769	5	121.0501	1.655	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-2:H-1:	N[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)(C[6]C[6])(H)	N[6](C[6]C[6]H)2(CN[6]HH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,2|H<1>}	C[6](N[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.5297	0.780	4	121.5297	0.608	4	121.2794	0.769	5	121.0501	1.655	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(H){1|C<3>,2|H<1>}	119.0400	0.000	1	119.0400	0.000	1	119.0400	0.000	1	121.0501	1.655	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6]H)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6])(S)	N[6](C[6]C[6]H)(C[6]N[6]S)(CCHH){2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<1>}	C[6](N[6]C[6]C)(N[6]C[6])(S){1|H<1>,2|C<3>}	120.5440	0.000	1	120.5440	0.000	1	120.4405	0.021	2	121.0501	1.655	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6])(S)	N[6](C[6]C[6]H)(C[6]N[6]S)(CH3){2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<1>}	C[6](N[6]C[6]C)(N[6]C[6])(S){1|H<1>,2|C<3>}	120.3370	0.000	1	120.3370	0.000	1	120.4405	0.021	2	121.0501	1.655	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<2>}	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	123.6050	0.000	1	123.6050	0.000	1	123.6050	0.000	1	121.0501	1.655	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:C-2:	N[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6])(CC)	N[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|H<1>,1|N<2>}	C[6](N[6]C[6]C)(N[6]C[6])(CC){1|C<3>,2|H<1>}	119.9910	0.000	1	119.9910	0.000	1	119.9910	0.000	1	119.9910	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6])(NHH)	N[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]C)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	119.8165	0.186	2	119.8165	0.035	2	119.8165	0.035	2	118.2180	7.683	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:C-3:	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H)	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO){1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H){1|C<3>,3|H<1>}	115.0210	0.000	1	115.0210	0.000	1	115.0210	0.000	1	118.2180	7.683	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BCCO)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BCCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	117.4180	0.267	2	117.4180	0.071	2	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BCHH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	119.3610	0.000	1	119.3610	0.000	1	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[5]CF)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[5]CF){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	119.1760	0.000	1	119.1760	0.000	1	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[5]CH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[5]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	116.4620	0.000	1	116.4620	0.000	1	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[5]HH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.2490	0.000	1	118.2490	0.000	1	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6]CC)	C[6](C[6]C[6]B)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6]CC){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	116.9295	0.045	2	116.9295	0.002	2	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6]CC)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|B<4>,1|C<3>,1|H<1>}	115.3806	0.253	5	115.3806	0.064	5	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.4010	0.000	1	118.4010	0.000	1	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]2C)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.2101	0.449	8	118.2101	0.202	8	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]2H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.6715	0.070	2	118.6715	0.005	2	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]2O)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	116.6770	0.000	1	117.3450	0.892	2	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]2O)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.0130	0.000	1	117.3450	0.892	2	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]2P)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	117.7110	0.000	1	117.7110	0.000	1	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	118.1060	0.028	2	117.4310	0.772	6	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	117.6540	0.000	1	117.4310	0.772	6	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<5>,1|H<1>}	117.5980	0.000	1	117.4310	0.772	6	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	115.7380	0.000	1	117.4310	0.772	6	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	117.3840	0.000	1	117.4310	0.772	6	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]N[6])(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]B)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.6629	0.206	7	118.6629	0.042	7	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6a]C[6])(N[6]C[6]B)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]B)(H){1|Pd<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]B)(H){1|Pd<3>,2|H<1>,3|C<3>}	117.4880	0.000	1	117.4880	0.000	1	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|N<2>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>}	116.0340	0.000	1	116.0340	0.000	1	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]N[6a]C[6])(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6a]C[6])(N[6]C[6]B)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.6400	0.192	12	118.6400	0.037	12	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]BF)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]BF){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	116.9520	0.042	2	116.9520	0.002	2	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]CC)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.2474	0.445	5	118.2474	0.198	5	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]CH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	117.6100	0.000	1	117.6100	0.000	1	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]CN)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	117.7010	0.000	1	117.7010	0.000	1	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	116.5185	0.033	2	117.2323	1.529	3	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.6600	0.000	1	117.2323	1.529	3	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]HO)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]HO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	117.0440	0.000	1	117.0440	0.000	1	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BC[6a]NN)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	119.4640	0.000	1	119.4640	0.000	1	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	117.2740	0.000	1	117.2740	0.000	1	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BHHN)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	116.6337	0.317	3	117.2085	1.389	4	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BHHN)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	118.9330	0.000	1	117.2085	1.389	4	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BN3)	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BN3){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|B<4>,1|C<3>,1|H<1>}	118.8660	0.000	1	118.8660	0.000	1	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BN[5]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BN[5]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	116.1100	0.000	1	116.1100	0.000	1	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BN[6]2H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BN[6]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	119.5407	0.507	3	119.5407	0.257	3	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BN[6]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BN[6]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	118.3536	0.562	7	118.3536	0.316	7	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BO3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	117.2790	0.000	1	118.3298	1.009	6	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(BO3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.5400	0.965	5	118.3298	1.009	6	117.9332	1.168	91	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|P<4>}	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	121.5780	0.069	2	121.5780	0.005	2	121.7057	0.028	4	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	121.8335	0.124	2	121.8335	0.015	2	121.7057	0.028	4	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C[6](C[5,6]N[5,6]C[5])(N[6]C[6]C)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5,6]N[5,6]C[5])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	124.6720	0.000	1	124.6720	0.000	1	124.6720	0.000	1	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	122.3500	0.000	1	122.3500	0.000	1	122.3500	0.000	1	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	C[6](C[6]C[5a,6]O)(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	124.2370	0.000	1	124.2370	0.000	1	124.3183	0.026	3	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	C[6](C[6]N[5a,6]O)(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]N[5a,6]O)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	124.3590	0.205	2	124.3590	0.042	2	124.3183	0.026	3	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a,6]S)(C[6]C[6]H)(CH3)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S)	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]S)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S){1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H){1|S<1>,2|C<3>}	122.6393	0.358	3	122.6393	0.128	3	122.6393	0.128	3	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6,6]O)(C[6]N[6]S)(CCHH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(S)	N[6](C[6]C[6,6]O)(C[6]N[6]S)(CCHH){1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|N<3>,1|O<2>,1|S<1>,3|C<4>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(S){1|C<3>,1|O<1>,1|O<2>}	124.2190	0.000	1	124.2190	0.000	1	124.2190	0.000	1	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)2(CN[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)2(CN[6]HH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	122.7242	0.433	4	122.7242	0.188	4	122.7242	0.188	4	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.1880	0.000	1	119.1880	0.000	1	120.6578	0.916	37	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.3772	1.021	17	120.3772	1.042	17	120.6578	0.916	37	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[5]HH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	122.6030	0.000	1	122.6030	0.000	1	120.6578	0.916	37	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.7724	0.589	13	120.7724	0.347	13	120.6578	0.916	37	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	122.1370	0.000	1	121.2188	0.778	5	120.6578	0.916	37	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.9892	0.828	4	121.2188	0.778	5	120.6578	0.916	37	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CCCH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|B<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|B<3>,1|O<1>,3|C<3>}	122.7030	0.000	1	124.2594	0.812	53	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CCCH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	124.2893	0.883	52	124.2594	0.812	53	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CCHH)	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O){1|N<3>,1|O<1>,3|C<3>}	124.1300	0.000	1	124.5215	0.307	2	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CCHH)	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	124.9130	0.000	1	124.5215	0.307	2	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CCHH)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	125.2558	1.148	5	125.2558	1.318	5	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CCHH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|Br<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|Br<1>,1|O<1>,3|C<3>}	125.4015	0.795	2	124.7466	0.294	119	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CCHH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|C<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|C<2>,1|O<1>,3|C<3>}	124.5595	0.989	2	124.7466	0.294	119	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CCHH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|C<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,1|S<2>,3|C<3>}	124.7650	0.000	1	124.7466	0.294	119	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CCHH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|Cl<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	125.3220	0.000	1	124.7466	0.294	119	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CCHH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	124.2440	0.000	1	124.7466	0.294	119	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CCHH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	124.7392	0.535	111	124.7466	0.294	119	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CCHH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,1|P<4>,3|C<3>}	124.5440	0.000	1	124.7466	0.294	119	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CC[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CC[6]HH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	125.2030	0.394	21	125.2030	0.156	21	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CC[6a]CH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CC[6a]CH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	124.1885	1.839	2	124.1885	3.383	2	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CC[6a]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CC[6a]HH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	124.8096	0.495	14	124.8835	0.253	16	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CC[6a]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CC[6a]HH){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,1|P<4>,3|C<3>}	125.4010	0.025	2	124.8835	0.253	16	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CH3)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CH3){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	124.7615	0.115	2	124.6153	0.071	3	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(CH3)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CH3){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	124.3230	0.000	1	124.6153	0.071	3	124.6857	0.507	221	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	125.0080	0.000	1	125.0080	0.000	1	125.0080	0.000	1	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(S)	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CCHH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(S){1|O<1>,2|C<3>}	123.9140	0.235	4	123.9140	0.055	4	123.9812	0.051	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(S)	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CC[6a]HH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(S){1|O<1>,2|C<3>}	124.1155	0.183	2	124.1155	0.034	2	123.9812	0.051	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:Se-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]Se)(C[6]C[6]H)(CCCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(Se)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]Se)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(Se){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|Se<1>,2|C<3>}	122.1895	0.040	2	122.1895	0.002	2	122.1895	0.002	2	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Cl<1>,1|Ni<4>,1|C<3>}	118.8050	0.000	1	119.3365	0.565	2	119.3365	0.565	2	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Cl<1>,1|Pd<4>,1|C<3>}	119.8680	0.000	1	119.3365	0.565	2	119.3365	0.565	2	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:D-1:	C[6]-3:N[6]-3:D-1:	N[6](C[6]C[6]D)2(CC[6a]HH)	C[6](C[6]C[6]D)(N[6]C[6]C)(D)	C[6](C[6]C[6]D)(N[6]C[6]C)(D)	N[6](C[6]C[6]D)2(CC[6a]HH){1|C<3>,2|D<1>}	C[6](C[6]C[6]D)(N[6]C[6]C)(D){1|C<3>,2|D<1>}	C[6](C[6]C[6]D)(N[6]C[6]C)(D){1|C<3>,2|D<1>}	120.7283	0.682	6	120.7283	0.465	6	120.7283	0.465	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(Br){1|C<3>,2|H<1>}	119.3720	2.239	3	119.3720	5.012	3	119.5340	2.620	5	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(Br){1|C<3>,2|H<1>}	119.4180	0.000	1	119.4180	0.000	1	119.5340	2.620	5	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(Br){1|C<3>,2|H<1>}	120.1360	0.000	1	120.1360	0.000	1	119.5340	2.620	5	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|C<3>,2|H<1>}	119.5380	0.000	1	119.5380	0.000	1	119.4008	0.013	4	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|C<3>,2|H<1>}	119.3550	0.080	3	119.3550	0.006	3	119.4008	0.013	4	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:F-1:	N[6](C[6]C[6]F)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(F)	N[6](C[6]C[6]F)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(F){1|C<3>,2|H<1>}	118.8055	0.006	2	118.8055	0.000	2	118.8055	0.000	2	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	122.0110	1.345	2	120.5833	1.834	11	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.8403	0.385	3	120.5833	1.834	11	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.9788	1.398	6	120.5833	1.834	11	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.6310	0.000	1	121.6310	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){3|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	122.0100	0.000	1	122.0100	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.8390	0.000	1	119.5192	2.539	4	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	118.7460	0.471	3	119.5192	2.539	4	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.2687	0.367	3	121.1540	0.275	29	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	121.9310	0.000	1	121.1540	0.275	29	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	119.9450	0.000	1	121.1540	0.275	29	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.0770	0.568	3	121.1540	0.275	29	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.1691	0.482	21	121.1540	0.275	29	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.9915	0.218	2	120.9915	0.048	2	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]F)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.3430	0.000	1	121.3430	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	119.9737	2.504	10	120.2107	1.433	337	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.9050	0.813	15	120.2107	1.433	337	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	118.8038	0.836	21	120.2107	1.433	337	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	119.3185	0.081	2	120.2107	1.433	337	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.7949	0.757	135	120.2107	1.433	337	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.9473	1.208	154	120.2107	1.433	337	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	122.0540	0.188	2	122.0540	0.035	2	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.6453	0.363	6	121.6453	0.132	6	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<4>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	118.9900	0.000	1	118.9900	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	120.7040	0.000	1	120.7040	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CCHH)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.3590	0.000	1	120.3590	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[5]CH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[5]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.1070	0.000	1	121.1070	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[5]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.7153	0.668	6	120.7153	0.446	6	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[5a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.2470	0.000	1	120.3055	1.773	2	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[5a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[5a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.3640	0.000	1	120.3055	1.773	2	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.3910	0.682	4	121.1264	0.383	8	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.8618	0.492	4	121.1264	0.383	8	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]2H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.1310	0.000	1	120.1310	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.5390	0.000	1	119.5390	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]CH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.9830	0.017	2	119.9830	0.000	2	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]FF)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]FF){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.6215	0.333	2	121.6215	0.111	2	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.3225	0.393	4	121.3225	0.154	4	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.0797	0.481	3	120.0476	1.389	7	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	118.5620	0.000	1	120.0476	1.389	7	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	118.9950	0.088	2	120.0476	1.389	7	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.5420	0.000	1	120.0476	1.389	7	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	117.6720	0.000	1	121.0915	1.360	28	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.5019	0.588	11	121.0915	1.360	28	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	118.0170	0.000	1	121.0915	1.360	28	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	119.3780	0.000	1	121.0915	1.360	28	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.2473	0.523	12	121.0915	1.360	28	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	122.0035	1.542	2	121.0915	1.360	28	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	120.8571	0.826	9	120.3192	1.159	348	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.8967	1.868	17	120.3192	1.159	348	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	119.0695	0.559	2	120.3192	1.159	348	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	118.9363	1.118	35	120.3192	1.159	348	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.5756	1.008	118	120.3192	1.159	348	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.4569	0.747	167	120.3192	1.159	348	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.3138	0.541	12	121.3138	0.292	12	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.8555	0.515	2	121.7870	0.111	7	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.7596	0.312	5	121.7870	0.111	7	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]N[6])(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.7980	0.000	1	121.7980	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	119.2777	0.363	4	119.2777	0.132	4	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|N<2>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	119.4400	0.000	1	119.4400	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){3|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H){1|C<3>,2|H<1>,2|N<3>}	122.7070	0.000	1	122.7070	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){3|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	121.1624	0.594	5	121.1624	0.353	5	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]2)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(N[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	120.5505	2.684	4	120.5505	7.205	4	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]B)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.3170	0.000	1	121.3170	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.5989	0.481	7	121.5989	0.232	7	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.5962	0.299	11	121.5962	0.090	11	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<2>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.3625	0.809	4	120.8704	0.714	20	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	121.0828	0.312	6	120.8704	0.714	20	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	118.2670	0.000	1	120.8704	0.714	20	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	119.9670	0.000	1	120.8704	0.714	20	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.9032	0.569	8	120.8704	0.714	20	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.4894	0.355	5	121.1346	0.813	21	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.4415	0.349	2	121.1346	0.813	21	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.3468	0.430	4	121.1346	0.813	21	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.2110	0.971	10	121.1346	0.813	21	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.6360	0.000	1	121.6360	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	120.9832	0.710	16	120.2197	1.028	398	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.1121	1.390	33	120.2197	1.028	398	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	119.0060	0.286	4	120.2197	1.028	398	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	119.7348	0.445	16	120.2197	1.028	398	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	121.7340	0.000	1	120.2197	1.028	398	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<1>}	118.7485	0.069	2	120.2197	1.028	398	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.6505	0.829	23	120.2197	1.028	398	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.2047	0.980	303	120.2197	1.028	398	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	121.1207	0.442	11	121.0412	0.345	23	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.9682	0.707	12	121.0412	0.345	23	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.7600	0.000	1	121.7945	0.146	20	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	121.4470	0.000	1	121.7945	0.146	20	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.8157	0.395	18	121.7945	0.146	20	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.4672	0.504	5	121.5174	0.177	7	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	121.6430	0.064	2	121.5174	0.177	7	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]S)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]S)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	118.7275	0.470	2	118.7275	0.221	2	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|I<1>}	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.2422	0.540	8	121.2422	0.292	8	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]Ir)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ir)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	121.7550	0.787	4	121.8330	0.495	5	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]Ir)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ir)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	122.1450	0.000	1	121.8330	0.495	5	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.9210	0.000	1	121.9210	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	120.3820	0.000	1	120.3820	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]Ni)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ni)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.7260	0.000	1	121.7260	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]Pd)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Pd)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.5590	0.000	1	120.5590	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]Rh)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|Rh<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Rh)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	121.3640	0.000	1	121.3640	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	117.7530	0.000	1	117.7530	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|Ni<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|Ni<4>,2|H<1>,3|C<3>}	122.0485	0.125	2	122.0485	0.016	2	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	120.1810	0.000	1	120.9610	1.217	2	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.7410	0.000	1	120.9610	1.217	2	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|N<2>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	120.5530	1.914	6	120.5936	3.065	7	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.8370	0.000	1	120.5936	3.065	7	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]N)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	121.2733	0.251	3	121.2733	0.063	3	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	119.3090	0.017	2	119.3090	0.000	2	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	122.3245	1.302	4	122.3245	1.695	4	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CN[5]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.7530	0.000	1	121.7530	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CN[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.2005	0.523	13	120.9386	0.338	23	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CN[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.5982	0.483	10	120.9386	0.338	23	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CPdCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CPdCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.9300	0.000	1	119.9300	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CReHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CReHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.0940	0.000	1	120.0940	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CSeHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CSeHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	121.5530	0.000	1	121.5530	0.000	1	120.4443	1.263	1419	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:I-1:	N[6](C[6]C[6]H)(C[6]C[6]I)(CCHH)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(I)	N[6](C[6]C[6]H)(C[6]C[6]I)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(I){1|C<3>,2|H<1>}	121.0380	0.000	1	121.0380	0.000	1	121.0380	0.000	1	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]H)(C[6]C[6]S)(CCHH)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(S)	N[6](C[6]C[6]H)(C[6]C[6]S)(CCHH){1|N<2>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|S<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(S){1|C<3>,1|H<1>}	120.5720	0.000	1	120.5720	0.000	1	120.5720	0.000	1	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](N[6]C[6]Pd)(N[6]C[6]C)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pd<5>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|Pd<5>,1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[6]Pd)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<2>}	121.2440	0.000	1	121.2440	0.000	1	121.2273	0.002	3	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	121.2190	0.059	2	121.2190	0.004	2	121.2273	0.002	3	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]N)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(N)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(N){1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[6]C)2(O){1|C<3>,1|N<1>,1|O<2>}	122.9220	0.000	1	122.9220	0.000	1	122.9220	0.000	1	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CCHH){1|C<3>,2|C<2>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	124.7100	0.310	3	124.7100	0.096	3	124.1475	0.259	15	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	123.7310	0.246	6	123.7310	0.060	6	124.1475	0.259	15	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	124.7510	0.494	2	124.7510	0.244	2	124.1475	0.259	15	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CH3){1|C<2>,1|C<3>,1|N<2>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	124.0485	0.204	4	124.0485	0.042	4	124.1475	0.259	15	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,2|O<1>}	123.9470	0.000	1	123.9470	0.000	1	124.4944	0.526	102	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	124.6982	0.350	6	124.6982	0.122	6	124.4944	0.526	102	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	123.4223	0.361	6	123.7041	0.237	10	124.4944	0.526	102	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|N<4>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	124.1320	0.144	2	123.7041	0.237	10	124.4944	0.526	102	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,2|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	124.1215	0.517	2	123.7041	0.237	10	124.4944	0.526	102	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(O){1|C<3>,2|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	125.0807	0.267	4	125.0807	0.071	4	124.4944	0.526	102	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	123.1695	0.173	2	123.7240	0.333	8	124.4944	0.526	102	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	123.9088	0.544	6	123.7240	0.333	8	124.4944	0.526	102	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	124.7977	0.581	58	124.7977	0.337	58	124.4944	0.526	102	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	123.5860	0.016	2	123.5860	0.000	2	124.4944	0.526	102	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	124.8598	0.448	4	124.8598	0.201	4	124.4944	0.526	102	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	123.8061	0.647	9	123.8061	0.419	9	124.4944	0.526	102	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<2>,1|S<1>}	C[6](N[6]C[6]C)2(S){1|C<3>,1|O<1>,1|O<2>}	124.5670	0.000	1	124.5670	0.000	1	123.5947	0.479	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|N<3>,1|O<2>,1|S<1>}	C[6](N[6]C[6]C)2(S){1|C<3>,1|O<1>,1|O<2>}	123.1740	0.282	4	123.1740	0.080	4	123.5947	0.479	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|S<1>,2|N<3>}	C[6](N[6]C[6]C)2(S){1|C<3>,1|N<3>,1|O<1>}	124.3050	0.000	1	124.3050	0.000	1	123.5947	0.479	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6,6]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:S-1:	N[6](C[6]C[6,6a]S)(C[6]N[6,6]O)(CCHH)	C[6](N[6,6]C[6,6,6a]C[6])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(S)	N[6](C[6]C[6,6a]S)(C[6]N[6,6]O)(CCHH){1|C<4>,2|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(S){2|O<1>,3|N<3>}	124.7920	0.000	1	124.7920	0.000	1	124.7920	0.000	1	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6,6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]N[6,6]O)(C[6]C[6]H)(CCHH)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6]C)(O)	C[6](C[6]C[6,6]Br)(N[6]C[6]C)(H)	N[6](C[6]N[6,6]O)(C[6]C[6]H)(CCHH){1|Br<1>,1|B<4>,1|C<3>}	C[6](N[6,6]C[6,6]B[6])(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]Br)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	121.6230	0.000	1	121.6230	0.000	1	121.6230	0.000	1	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	121.1668	0.271	6	121.1668	0.073	6	120.9698	0.478	22	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	C[6](N[6]C[6]Zn)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	119.8010	0.000	1	119.8010	0.000	1	120.9698	0.478	22	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	120.5793	0.653	3	120.5793	0.426	3	120.9698	0.478	22	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]Pd)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pd)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>}	120.7990	0.591	2	120.7990	0.349	2	120.9698	0.478	22	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]Pd)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	120.7675	0.764	2	120.7675	0.584	2	120.9698	0.478	22	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]Pt)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>}	120.1880	0.000	1	121.1720	0.859	7	120.9698	0.478	22	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]Pt)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	121.3360	0.897	6	121.1720	0.859	7	120.9698	0.478	22	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]Re)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	121.4590	0.000	1	121.4590	0.000	1	120.9698	0.478	22	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]O)2(CH3)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O)	N[6](C[6]N[6]O)2(CH3){3|C<4>}	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<3>}	123.5875	1.860	2	123.5875	3.461	2	123.6926	0.986	5	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]O)2(CH3)	C[6](N[6]C[6]C)2(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]N[6]O)2(CH3){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)2(O){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)2(O){1|N<2>,1|N<3>,1|O<1>}	123.6375	0.593	2	123.6375	0.352	2	123.6926	0.986	5	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]N[6]O)2(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O)	N[6](C[6]N[6]O)2(CH3){3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>}	124.0130	0.000	1	124.0130	0.000	1	123.6926	0.986	5	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:S-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]N[6]S)2(CH3)	C[6](N[6]C[6]C)2(S)	C[6](N[6]C[6]C)2(S)	N[6](C[6]N[6]S)2(CH3){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)2(S){1|N<3>,2|S<1>}	C[6](N[6]C[6]C)2(S){1|N<3>,2|S<1>}	124.5293	1.170	6	124.5293	1.368	6	124.5293	1.368	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[4]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[4]C[4]2H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[4]C[6])(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[4]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[4]C[4]2H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[4]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[4]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	124.9500	0.000	1	124.9500	0.000	1	124.9500	0.000	1	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	123.5064	1.258	20	123.4757	1.148	28	123.4757	1.148	28	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	123.3989	0.345	8	123.4757	1.148	28	123.4757	1.148	28	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GaBr3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaBr3){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.4040	0.000	1	118.9967	0.182	4	118.7921	0.680	19	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GaBr3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaBr3){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8610	0.403	3	118.9967	0.182	4	118.7921	0.680	19	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GaCCO)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaCCO){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.4540	0.000	1	117.4540	0.000	1	118.7921	0.680	19	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GaCl2H)	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|C<4>}	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.7770	0.000	1	119.7770	0.000	1	118.7921	0.680	19	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GaCl2H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	119.1990	0.000	1	118.6103	1.106	4	118.7921	0.680	19	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GaCl2H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.1250	0.000	1	118.6103	1.106	4	118.7921	0.680	19	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GaCl2H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.0585	0.603	2	118.6103	1.106	4	118.7921	0.680	19	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GaCl3)	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	N[6](C[6]C[6]H)2(GaCl3){1|C<3>,2|C<4>}	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.8730	0.000	1	119.8730	0.000	1	118.7921	0.680	19	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GaCl3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaCl3){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.2080	0.000	1	118.9863	0.087	3	118.7921	0.680	19	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GaCl3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaCl3){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8755	0.316	2	118.9863	0.087	3	118.7921	0.680	19	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GaCl3)	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(GaCl3){1|N<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	118.8050	0.000	1	118.8050	0.000	1	118.7921	0.680	19	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GaH3)	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	N[6](C[6]C[6]H)2(GaH3){1|C<3>,2|C<4>}	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	118.9320	0.788	2	118.9320	0.620	2	118.7921	0.680	19	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GaI3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaI3){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.8860	0.000	1	118.8860	0.000	1	118.7921	0.680	19	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(GaI3)	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(GaI3){1|N<2>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	117.0040	0.000	1	117.0040	0.000	1	118.7921	0.680	19	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:In-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(InBr3)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(InBr3){1|C<3>,2|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.9280	0.000	1	118.9280	0.000	1	117.4760	2.250	3	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:In-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(InC[6a]3)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(InC[6a]3){1|C<3>,2|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	115.9320	0.000	1	115.9320	0.000	1	117.4760	2.250	3	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:In-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(InClWW)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(InClWW){1|C<3>,2|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.5680	0.000	1	117.5680	0.000	1	117.4760	2.250	3	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[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:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(PCCS)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PCCS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	118.4660	0.167	2	118.4660	0.028	2	118.8023	1.226	20	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[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:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(PC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PC[6a]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	117.8410	0.294	3	117.8410	0.086	3	118.8023	1.226	20	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[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:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(PN[6]OO)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PN[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	118.1933	0.440	4	118.9762	1.587	6	118.8023	1.226	20	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[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:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(PN[6]OO)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PN[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	120.5420	0.016	2	118.9762	1.587	6	118.8023	1.226	20	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[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:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(PN[6]SS)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PN[6]SS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	117.7403	0.325	3	117.7403	0.106	3	118.8023	1.226	20	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[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:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(PS3)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PS3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	119.7520	0.771	6	119.7520	0.595	6	118.8023	1.226	20	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(SCOO)	C[6](C[6]C[4,6]H)(N[6]C[6]S)(H)	C[6](C[6]C[4,6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SCOO){1|C<4>,2|H<1>}	C[6](C[6]C[4,6]H)(N[6]C[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[4,6]H)(N[6]C[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	118.3300	0.000	1	118.3300	0.000	1	117.6560	1.703	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(SCOO)	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SCOO){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H){1|H<1>,3|C<3>}	117.9080	0.000	1	117.9080	0.000	1	117.6560	1.703	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(SCOO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SCOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	119.8190	0.000	1	119.8190	0.000	1	117.6560	1.703	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SC[6a]OO){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	116.7375	0.250	2	116.7375	0.062	2	117.6560	1.703	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SC[6a]OO){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	116.4040	0.000	1	116.4040	0.000	1	117.6560	1.703	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Si-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(SiBrCH)	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(SiBrCH){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.4610	0.000	1	117.4610	0.000	1	117.3583	2.661	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Si-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(SiBrCH)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(SiBrCH){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.9320	0.000	1	117.9320	0.000	1	117.3583	2.661	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Si-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(SiC3)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(SiC3){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.3990	0.000	1	119.3990	0.000	1	117.3583	2.661	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Si-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(SiCCW)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(SiCCW){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.2395	2.463	2	116.2395	6.066	2	117.3583	2.661	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Si-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(SiSi2N)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(SiSi2N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.8790	0.000	1	116.8790	0.000	1	117.3583	2.661	6	121.0791	4.288	2060	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-2:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]C)(N[6]C[6]B)(CC)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]B)(CC){1|C<3>,2|H<1>}	118.3110	0.303	2	118.3110	0.092	2	118.3110	0.092	2	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[5]2Pt)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(SPt)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[5]2Pt){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]B)(SPt){1|C<3>,2|H<1>}	119.6790	0.000	1	119.6790	0.000	1	119.7692	0.734	9	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Pd)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(SPd)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Pd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]B)(SPd){1|C<3>,2|H<1>}	120.4450	0.371	3	120.4450	0.138	3	119.7692	0.734	9	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Ru)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(SRu)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Ru){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]B)(SRu){1|C<3>,2|H<1>}	118.7470	0.424	3	118.7470	0.180	3	119.7692	0.734	9	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]RhH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(SRh)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]RhH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]B)(SRh){1|C<3>,2|H<1>}	120.3340	0.287	2	120.3340	0.082	2	119.7692	0.734	9	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]C[6,6a]O)(C[6]N[6]N)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(NN)	N[6](C[6]C[6,6a]O)(C[6]N[6]N)(CH3){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(NN){1|O<1>,2|C<3>}	124.2260	0.000	1	124.2260	0.000	1	124.2260	0.000	1	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-2:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC){1|C<3>,2|H<1>}	120.8750	0.194	2	120.8750	0.038	2	119.9601	0.657	8	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-2:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CN)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CN){1|C<3>,2|H<1>}	119.6552	0.683	6	119.6552	0.466	6	119.9601	0.657	8	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	122.0720	0.102	2	122.0720	0.010	2	122.0463	0.098	14	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|N<2>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|H<1>,2|C<3>}	122.1700	0.000	1	122.1700	0.000	1	122.0463	0.098	14	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	121.9330	0.247	2	121.9330	0.061	2	122.0463	0.098	14	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6])	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]){1|C<3>,2|H<1>}	122.1885	0.448	2	122.1885	0.200	2	122.0463	0.098	14	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NN)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NN){1|C<3>,2|H<1>}	122.1710	0.000	1	122.1710	0.000	1	122.0463	0.098	14	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	121.9867	0.421	6	121.9867	0.177	6	122.0463	0.098	14	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(OC)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OC){1|C<3>,2|H<1>}	120.4420	0.000	1	120.4420	0.000	1	121.3800	0.902	6	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(OCo)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OCo){1|C<3>,2|H<1>}	122.5100	0.000	1	122.5100	0.000	1	121.3800	0.902	6	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(OMg)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OMg){1|C<3>,2|H<1>}	122.5990	0.000	1	122.5990	0.000	1	121.3800	0.902	6	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(N[6]C[6]C)(OMo)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(OMo){1|C<3>,2|H<1>}	121.0780	0.181	2	121.0780	0.033	2	121.3800	0.902	6	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	N[6](C[6]C[6]H)(C[6]C[6]O)(CSiHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)	N[6](C[6]C[6]H)(C[6]C[6]O)(CSiHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OH){1|C<3>,2|H<1>}	120.5730	0.000	1	120.5730	0.000	1	121.3800	0.902	6	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(SCu)	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(SCu){1|C<3>,2|H<1>}	121.5840	0.409	4	121.5840	0.167	4	122.1854	0.891	9	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(N[6]C[6]C)(SCu)	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(SCu){1|C<3>,2|H<1>}	121.7895	0.012	2	121.7895	0.000	2	122.1854	0.891	9	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(N[6]C[6]C)(SZn)	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(SZn){1|C<3>,2|H<1>}	123.2513	0.853	3	123.2513	0.727	3	122.1854	0.891	9	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]C)2(O)	C[6](N[6]C[6]C)2(NC[6a])	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	C[6](N[6]C[6]C)2(O){1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)2(NC[6a]){1|N<3>,2|O<1>}	124.0255	0.684	4	124.0255	0.468	4	123.9000	0.430	5	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:N-2:	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(NO)	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(NO){1|N<3>,2|O<1>}	123.3980	0.000	1	123.3980	0.000	1	123.9000	0.430	5	121.3805	2.555	54	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H){1|C<3>,2|H<1>}	118.1370	0.625	2	118.1370	0.391	2	118.1370	0.391	2	120.6786	0.777	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-4:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)(C[6]N[6]O)(BCHH)	C[6](N[6]C[5]C[6])(N[6]C[6]B)(O)	C[6](C[6]C[6]H)(N[6]C[6]B)(NHH)	N[6](C[6]C[6]N)(C[6]N[6]O)(BCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5]C[6])(N[6]C[6]B)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NHH){1|H<1>,1|N<3>,1|O<1>}	121.2160	0.000	1	121.2160	0.000	1	121.2160	0.000	1	120.6786	0.777	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	121.7240	0.000	1	121.7240	0.000	1	120.8604	0.273	25	120.6786	0.777	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCC)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NCC){1|C<3>,2|H<1>}	121.5830	0.000	1	121.5830	0.000	1	120.8604	0.273	25	120.6786	0.777	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]H){1|C<3>,2|H<1>}	121.2160	0.000	1	121.2160	0.000	1	120.8604	0.273	25	120.6786	0.777	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	120.6800	0.838	4	120.6800	0.702	4	120.8604	0.273	25	120.6786	0.777	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	121.3240	0.000	1	121.3240	0.000	1	120.8604	0.273	25	120.6786	0.777	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	120.8070	0.000	1	120.8070	0.000	1	120.8604	0.273	25	120.6786	0.777	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	120.7478	0.468	6	120.7478	0.219	6	120.8604	0.273	25	120.6786	0.777	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH){1|C<3>,2|H<1>}	120.6413	0.195	6	120.6413	0.038	6	120.8604	0.273	25	120.6786	0.777	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	121.7570	0.000	1	121.7570	0.000	1	120.8604	0.273	25	120.6786	0.777	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NNiC)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NNiC){1|C<3>,2|H<1>}	120.7955	0.279	2	120.7955	0.078	2	120.8604	0.273	25	120.6786	0.777	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NPdC)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NPdC){1|C<3>,2|H<1>}	120.4540	0.000	1	120.4540	0.000	1	120.8604	0.273	25	120.6786	0.777	28	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH){1|C<3>,2|H<1>}	118.2595	0.088	2	118.2595	0.008	2	118.3900	0.036	6	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2C)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH){1|C<3>,2|H<1>}	118.5740	0.000	1	118.5740	0.000	1	118.3900	0.036	6	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CCHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CCHH){1|C<3>,2|H<1>}	118.1820	0.000	1	118.1820	0.000	1	118.3900	0.036	6	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(BCl3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CC[6]HH)	N[6](C[6]C[6]C)(C[6]C[6]H)(BCl3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CC[6]HH){1|C<3>,2|H<1>}	118.5325	0.142	2	118.5325	0.020	2	118.3900	0.036	6	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	121.7230	0.809	2	121.7230	0.654	2	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCCH){1|C<3>,2|H<1>}	121.4600	0.000	1	121.4600	0.000	1	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	121.5315	0.428	4	121.5315	0.183	4	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	121.0562	0.679	5	121.0562	0.461	5	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]RuC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CRuCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]RuC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CRuCH){1|C<3>,2|H<1>}	120.7180	0.000	1	120.7180	0.000	1	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[5]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	121.1710	0.000	1	121.1710	0.000	1	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	121.2940	0.000	1	121.2940	0.000	1	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|H<1>}	117.1830	0.000	1	117.1830	0.000	1	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	121.2635	1.054	6	121.2635	1.111	6	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]Br)(N[6]C[6]C)(CCHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Br<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	122.4530	0.119	2	122.4530	0.014	2	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	121.4160	0.000	1	121.4160	0.000	1	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]Fe)(N[6]C[6]C)(CHHN)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Fe)(N[6]C[6]C)(CHHN){1|C<3>,2|H<1>}	120.6130	0.000	1	120.6130	0.000	1	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CGeHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CGeHH){1|C<3>,2|H<1>}	121.6540	0.000	1	121.6540	0.000	1	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	121.0620	0.000	1	121.0620	0.000	1	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CPtCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CPtCH){1|C<3>,2|H<1>}	123.1690	0.000	1	123.1690	0.000	1	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH){1|C<3>,2|H<1>}	121.1855	0.009	2	121.1855	0.000	2	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CSiHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CSiHH){1|C<3>,2|H<1>}	121.5040	0.000	1	121.5040	0.000	1	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	121.0140	0.000	1	121.0140	0.000	1	121.2718	1.055	33	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(PC[6a]2F)	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(PC[6a]2F){1|C<3>,2|H<1>}	120.3970	0.000	1	120.3970	0.000	1	120.3970	0.000	1	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:In-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(InCCO)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(CCHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(InCCO){1|C<3>,2|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	118.9820	0.000	1	118.9820	0.000	1	119.4645	0.466	2	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:In-4:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(InN3)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(CHHN)	N[6](C[6]C[6]C)(C[6]C[6]H)(InN3){1|C<3>,2|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	119.9470	0.000	1	119.9470	0.000	1	119.4645	0.466	2	120.7532	1.957	42	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[4,6,6]-4:N[6]-3:O-1:	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[4,6,6]C[6,6,6a]C[4,6]C[4])(N[6]C[6]C)(O)	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[4,6,6]C[6,6,6a]C[4,6]C[4])(N[6]C[6]C)(O){1|H<1>,1|O<1>,5|C<3>}	124.6280	0.877	3	124.6280	0.769	3	124.6280	0.769	3	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	124.6942	0.287	4	124.6942	0.082	4	124.4298	0.134	19	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6]C[6,6a]CN)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CN)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	124.6500	0.059	2	124.6500	0.004	2	124.4298	0.134	19	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	124.4913	0.236	3	124.4913	0.056	3	124.4298	0.134	19	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	124.3893	0.370	6	124.3893	0.137	6	124.4298	0.134	19	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	124.3510	0.000	1	124.2587	0.010	3	124.4298	0.134	19	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	124.2125	0.083	2	124.2587	0.010	3	124.4298	0.134	19	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(O)	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	123.5030	0.000	1	123.5030	0.000	1	124.4298	0.134	19	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|H<1>,2|C<3>}	120.9050	0.000	1	120.9050	0.000	1	121.2867	0.295	3	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|H<1>,2|C<3>}	121.0460	0.000	1	121.0460	0.000	1	121.2867	0.295	3	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	N[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){2|C<3>,2|H<1>}	121.9090	0.000	1	121.9090	0.000	1	121.2867	0.295	3	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](C[6]C[6]CO)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CH3){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	123.0740	0.000	1	123.0740	0.000	1	123.0740	0.000	1	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](N[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](C[6]C[6]CO)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	C[6](N[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	123.7600	0.000	1	123.7600	0.000	1	123.7600	0.000	1	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:S-4:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|O<1>,2|C<3>}	121.3040	0.000	1	121.3040	0.000	1	121.3040	0.000	1	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){2|C<3>,2|H<1>}	120.8537	0.516	3	120.8537	0.266	3	120.7067	0.264	4	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(O)	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(N[6]C[6]S)(O){2|C<3>,2|H<1>}	120.2660	0.000	1	120.2660	0.000	1	120.7067	0.264	4	123.5273	2.469	32	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	2:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:N[6]-3:N-2:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH)	C[6](N[6]C[5a,6])(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH){1|H<1>,1|N<3>,2|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]C)(H){1|C<3>,1|N<2>,1|N<3>}	123.0783	0.068	3	123.0783	0.005	3	123.1170	0.012	5	123.1170	0.012	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	2:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:N[6]-3:N-2:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH)	C[6](N[6]C[5a,6])(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CC[6a]HH){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH){1|H<1>,1|N<3>,2|N<2>}	C[6](N[6]C[5a,6])(N[6]C[6]C)(H){1|C<3>,1|N<2>,1|N<3>}	123.1750	0.163	2	123.1750	0.026	2	123.1170	0.012	5	123.1170	0.012	5	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OIr)	C[6](N[6]C[5a,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OIr){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[5a,6]C)(N[6]C[6]C)(O){1|C<3>,1|N<2>,1|O<2>}	123.7023	0.320	3	123.7023	0.102	3	123.7023	0.102	3	122.9112	1.677	18	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]N[6])(N[6]C[6]C)(OCu)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(N[6]C[6]C)(OCu){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<3>,1|N<2>,1|O<2>}	124.7125	0.067	2	124.7125	0.005	2	124.7125	0.005	2	122.9112	1.677	18	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<2>,2|C<3>}	120.7600	0.182	2	120.7600	0.033	2	120.7600	0.033	2	122.9112	1.677	18	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>}	122.5020	0.000	1	122.5020	0.000	1	122.5020	0.000	1	122.9112	1.677	18	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(OCd)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(OCd){1|N<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,1|N<1>,1|O<2>}	123.8530	0.000	1	123.8530	0.000	1	123.8530	0.000	1	122.9112	1.677	18	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(OH)	C[6](N[6]C[6]C)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(OH){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]C)2(S){1|C<3>,1|O<1>,1|O<2>}	123.3230	0.000	1	123.3230	0.000	1	123.1807	0.091	7	122.9112	1.677	18	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(OMn)	C[6](N[6]C[6]C)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OMn){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]C)2(S){1|C<3>,1|O<1>,1|O<2>}	123.0160	0.302	4	123.1570	0.104	6	123.1807	0.091	7	122.9112	1.677	18	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-2:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(OMn)	C[6](N[6]C[6]C)2(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OMn){1|N<3>,1|O<2>,1|S<1>}	C[6](N[6]C[6]C)2(S){1|C<3>,2|O<2>}	123.4390	0.098	2	123.1570	0.104	6	123.1807	0.091	7	122.9112	1.677	18	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:N[6]-3:N-2:	N[6]-3:N[6]-3:H-1:	N[6](C[6]N[6]H)(C[6]N[6]N)(CCCH)	C[6](N[6]B[6]C)(N[6]C[6]C)(NC)	C[6](N[6]B[6]C)(N[6]C[6]C)(H)	N[6](C[6]N[6]H)(C[6]N[6]N)(CCCH){1|B<4>,2|C<4>}	C[6](N[6]B[6]C)(N[6]C[6]C)(NC){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]B[6]C)(N[6]C[6]C)(H){1|N<2>,1|N<3>,2|C<3>}	120.5880	0.000	1	120.5880	0.000	1	120.5880	0.000	1	122.9112	1.677	18	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(NS)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(SC[6a]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(NS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|N<2>}	121.1410	0.000	1	121.1410	0.000	1	121.1410	0.000	1	122.9112	1.677	18	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]N)2(BH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(NSi)	C[6](C[6]C[6]H)(N[6]C[6]B)(NSi)	N[6](C[6]C[6]N)2(BH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NSi){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NSi){1|C<3>,1|H<1>,1|N<2>}	119.4030	0.000	1	119.4030	0.000	1	119.4030	0.000	1	120.7767	1.784	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-2:	C[6]-3:N[6]-3:C-2:	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CW)	C[6](C[6]C[6]H)(N[6]C[6]C)(CW)	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CW){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CW){1|C<2>,1|C<3>,1|H<1>}	121.4635	0.859	2	121.4635	0.738	2	121.4635	0.738	2	120.7767	1.784	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(SC[6a])	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(SC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|S<2>}	120.5920	0.000	1	120.5920	0.000	1	120.5920	0.000	1	120.5920	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	N[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|S<1>}	118.7265	0.176	2	118.7265	0.031	2	118.7265	0.031	2	118.7265	0.031	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:N-2:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6a]N)(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(NC[6a])	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]N)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(NC[6a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O){1|N<2>,2|C<3>}	123.2270	0.000	1	123.2270	0.000	1	123.2270	0.000	1	120.2000	7.041	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:S-4:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]C[6])	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,1|N<2>,2|H<1>}	118.6865	0.582	2	118.6865	0.339	2	118.6865	0.339	2	120.2000	7.041	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	2:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:N[6]-3:N-3:	N[6]-2:N[6]-3:H-1:	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NHH)	C[6](N[6]C[5a,6])(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH){1|C<3>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5a,6])(N[6]C[6]C)(H){1|C<3>,2|N<3>}	121.6013	0.294	3	121.6013	0.086	3	121.6013	0.086	3	121.6013	0.086	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	2:3:4:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6]-3:C-3:	N[6]-2:N[6]-3:C-4:	N[6](C[6]C[6,6a]C)(C[6]N[6]C)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]H)	C[6](N[6]C[6,6a])(N[6]C[6]C)(CBrFF)	N[6](C[6]C[6,6a]C)(C[6]N[6]C)(CC[6a]HH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6]C)(CBrFF){3|C<3>}	116.0620	0.000	1	116.0620	0.000	1	116.0620	0.000	1	116.0620	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)(N[6]C[6]B)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)(N[6]C[6]B){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	117.3180	0.195	2	117.3180	0.038	2	117.3180	0.038	2	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	118.3260	0.000	1	118.3260	0.000	1	118.3260	0.000	1	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	118.7950	0.000	1	118.7950	0.000	1	118.3593	0.725	3	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	118.9050	0.000	1	118.9050	0.000	1	118.3593	0.725	3	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]B)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]3){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]B){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	117.3780	0.000	1	117.3780	0.000	1	118.3593	0.725	3	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	122.0120	0.000	1	122.0120	0.000	1	120.7615	0.306	8	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.7170	0.000	1	120.6647	0.022	3	120.7615	0.306	8	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C){1|Ir<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.6385	0.197	2	120.6647	0.022	3	120.7615	0.306	8	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|Ir<8>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.0910	0.000	1	120.5215	0.092	4	120.7615	0.306	8	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.6525	0.163	2	120.5215	0.092	4	120.7615	0.306	8	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]Ir)(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.6900	0.000	1	120.5215	0.092	4	120.7615	0.306	8	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]C){2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	121.0828	0.324	4	121.0828	0.105	4	121.0442	0.086	5	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CH3)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.8900	0.000	1	120.8900	0.000	1	121.0442	0.086	5	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){3|C<3>}	122.3900	0.000	1	122.3900	0.000	1	122.2095	0.065	2	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){3|C<3>}	122.0290	0.000	1	122.0290	0.000	1	122.2095	0.065	2	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	121.6860	0.000	1	120.3649	0.430	10	120.5076	0.393	17	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){3|C<3>}	119.5970	0.000	1	120.3649	0.430	10	120.5076	0.393	17	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.2650	0.632	2	120.3649	0.430	10	120.5076	0.393	17	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.7520	0.000	1	120.3649	0.430	10	120.5076	0.393	17	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	120.2168	0.464	5	120.3649	0.430	10	120.5076	0.393	17	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|Re<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	121.1280	0.671	3	121.1280	0.450	3	120.5076	0.393	17	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.3990	0.195	4	120.3990	0.038	4	120.5076	0.393	17	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(CH3)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[6]N[6]H)(N[6]C[6]C)(S)	N[6](C[6]C[6a]C[6])(C[6]C[6]S)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]C){1|S<1>,2|H<1>,5|C<3>}	C[6](C[6]N[6]H)(N[6]C[6]C)(S){2|C<3>}	122.1185	0.282	2	122.1185	0.080	2	122.1185	0.080	2	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	121.6195	0.050	2	121.6195	0.003	2	121.4958	0.248	26	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.4045	0.074	2	120.4045	0.006	2	121.4958	0.248	26	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]Fe)(N[6]C[6]C)(CHN)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Fe)(N[6]C[6]C)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	121.2170	0.000	1	121.2170	0.000	1	121.4958	0.248	26	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	121.7210	0.000	1	121.7210	0.000	1	121.4958	0.248	26	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	121.5952	0.426	20	121.5952	0.181	20	121.4958	0.248	26	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>}	121.1330	0.000	1	121.1330	0.000	1	121.1330	0.000	1	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]N)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C[6](N[6]C[6]C)2(S)	N[6](C[6]C[6]N)(C[6]N[6]S)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|N<3>,1|O<1>,1|S<1>}	C[6](N[6]C[6]C)2(S){1|C<3>,1|N<3>,1|O<1>}	122.6300	0.000	1	122.6300	0.000	1	122.6300	0.000	1	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	119.7370	1.442	2	119.7370	2.081	2	119.7370	2.081	2	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.6260	0.000	1	120.6118	0.120	6	120.5507	0.428	11	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	120.6090	0.388	5	120.6118	0.120	6	120.5507	0.428	11	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	121.0540	0.000	1	121.0540	0.000	1	120.5507	0.428	11	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.8720	1.073	2	120.3332	1.072	4	120.5507	0.428	11	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.7945	0.950	2	120.3332	1.072	4	120.5507	0.428	11	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6a]C[6])(C[6]N[6]S)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|O<1>,2|C<3>}	121.8530	0.000	1	121.8530	0.000	1	121.8530	0.000	1	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(CCHH)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(CCHH){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,3|C<3>}	122.2545	0.131	2	122.2545	0.017	2	122.2545	0.017	2	120.8474	1.260	84	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]N)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NH)	N[6](C[6]C[6]N)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NH){1|C<3>,1|H<1>,1|N<3>}	121.0050	0.445	2	121.0050	0.198	2	121.0050	0.198	2	121.0050	0.198	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){3|C<3>}	120.0599	0.426	8	120.0599	0.181	8	120.2558	0.504	9	120.1560	1.326	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|H<1>,2|C<3>}	121.8230	0.000	1	121.8230	0.000	1	120.2558	0.504	9	120.1560	1.326	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)2(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	N[6](C[6]C[6]N)2(CH3){1|C<4>,2|C<2>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|H<1>,1|N<3>,2|C<3>}	118.2550	0.000	1	118.2550	0.000	1	120.1416	1.241	5	120.1560	1.326	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	N[6](C[6]C[6]N)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<3>}	120.2655	0.063	2	120.2655	0.004	2	120.1416	1.241	5	120.1560	1.326	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	N[6](C[6]C[6]N)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<3>}	120.9610	0.165	2	120.9610	0.027	2	120.1416	1.241	5	120.1560	1.326	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|H<1>,2|C<3>}	121.8265	0.347	2	121.8265	0.121	2	121.8265	0.121	2	120.1560	1.326	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])2(CC[6a]FF)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6a]C[6])2(CC[6a]FF){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){2|H<1>,5|C<3>}	120.1890	0.000	1	120.1890	0.000	1	120.1890	0.000	1	120.1560	1.326	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:Ga-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	N[6](C[6]C[6a]C[6])2(GaCl3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ga)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ga)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])2(GaCl3){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ga)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ga)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	118.4100	0.000	1	118.4100	0.000	1	118.4100	0.000	1	120.1560	1.326	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:S-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(NHS)	N[6](C[6]C[6a]C[6])(C[6]C[6]N)(SC[6a]OO){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(NHS){2|H<1>,4|C<3>}	117.7020	0.000	1	117.7020	0.000	1	117.7020	0.000	1	120.1560	1.326	19	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(CH3)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(CH3){3|C<3>}	121.7690	0.000	1	121.7690	0.000	1	121.7690	0.000	1	120.8231	1.051	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(CNO)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CNO){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|O<2>,2|C<3>}	121.2980	0.106	2	121.2980	0.011	2	121.2980	0.011	2	120.8231	1.051	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|N<3>,2|C<3>}	119.5240	0.000	1	119.5240	0.000	1	119.5240	0.000	1	120.8231	1.051	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>}	119.5860	0.000	1	120.9933	1.499	3	120.6740	1.407	4	120.8231	1.051	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	121.6970	0.164	2	120.9933	1.499	3	120.6740	1.407	4	120.8231	1.051	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|H<1>}	119.7160	0.000	1	119.7160	0.000	1	120.6740	1.407	4	120.8231	1.051	8	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(CCHH)	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(CCHH){1|Fe<10>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]C){1|Fe<10>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(O){1|H<1>,2|C<3>,2|C<4>}	123.8330	0.000	1	123.8330	0.000	1	123.8330	0.000	1	120.8413	2.961	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	121.1970	0.000	1	121.1970	0.000	1	121.8000	0.727	2	120.8413	2.961	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]H){1|O<1>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	122.4030	0.000	1	122.4030	0.000	1	121.8000	0.727	2	120.8413	2.961	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]N)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]N)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>}	122.2470	0.000	1	122.2470	0.000	1	122.2470	0.000	1	120.8413	2.961	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]C[6]N)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]N)(N[6]C[6]C)(O){1|H<1>,5|C<3>}	120.9100	0.000	1	120.9100	0.000	1	121.1915	0.158	2	120.8413	2.961	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O){1|H<1>,5|C<3>}	121.4730	0.000	1	121.4730	0.000	1	121.1915	0.158	2	120.8413	2.961	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6a]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]S)	C[6](C[6]C[5,6]CH)(N[6]C[6]S)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(N[6]C[6]S){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]CH)(N[6]C[6]S)(O){4|C<3>}	119.5510	0.000	1	119.5510	0.000	1	119.5510	0.000	1	120.8413	2.961	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:S-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O){1|H<1>,5|C<3>}	118.9330	0.284	3	118.9330	0.081	3	118.9330	0.081	3	120.8413	2.961	10	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	5:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6]-5:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH)	C[6](C[6]N[6]Ru3)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){3|Ru<5>,1|C<4>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH){1|Ru<5>,1|C<5>,1|H<1>}	C[6](C[6]N[6]Ru3)(N[6]C[6]C)(H){2|C<3>}	120.9810	0.000	1	120.9810	0.000	1	120.9810	0.000	1	120.9810	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	5:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6]-5:N[6]-3:C-4:	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH)	C[6](C[6]N[6]Ru3)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)2(CH3){3|Ru<5>,1|C<4>,1|N<3>}	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH){1|Ru<5>,1|C<4>,1|C<5>}	C[6](C[6]N[6]Ru3)(N[6]C[6]C)(CH3){2|C<3>}	122.8730	0.000	1	122.8730	0.000	1	122.8730	0.000	1	122.8730	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	120.9383	0.496	3	120.9383	0.246	3	121.2420	0.586	23	121.2673	0.544	27	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<2>}	121.2424	0.372	5	121.4933	0.284	7	121.2420	0.586	23	121.2673	0.544	27	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<3>}	122.1205	0.223	2	121.4933	0.284	7	121.2420	0.586	23	121.2673	0.544	27	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	119.6055	0.515	2	119.6055	0.266	2	121.2420	0.586	23	121.2673	0.544	27	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|C<4>}	120.9025	0.491	2	120.9025	0.242	2	121.2420	0.586	23	121.2673	0.544	27	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	120.6150	0.000	1	121.5870	0.352	9	121.2420	0.586	23	121.2673	0.544	27	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<2>}	121.7085	0.501	8	121.5870	0.352	9	121.2420	0.586	23	121.2673	0.544	27	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	121.8155	0.651	2	121.8155	0.424	2	121.4128	0.384	4	121.2673	0.544	27	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	121.0100	0.279	2	121.0100	0.078	2	121.4128	0.384	4	121.2673	0.544	27	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:N-2:	N[6](C[6]C[6]C)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	N[6](C[6]C[6]C)(C[6]C[6]N)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH){1|N<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|C<4>,2|C<3>}	123.1422	0.285	4	123.1422	0.081	4	123.1422	0.081	4	123.1422	0.081	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:B-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(BC[6a]3)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	N[6](C[6]C[6]C)2(BC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,1|C<4>,1|H<1>}	117.7690	0.000	3	117.7690	0.000	3	117.7690	0.000	3	120.2237	1.977	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	122.0111	0.164	8	120.4598	1.183	27	120.4448	1.561	44	120.2237	1.977	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	119.9954	0.388	5	120.4598	1.183	27	120.4448	1.561	44	120.2237	1.977	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	119.7392	0.427	14	120.4598	1.183	27	120.4448	1.561	44	120.2237	1.977	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(CC[6a]CH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)2(CC[6a]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	119.1220	0.000	1	119.1220	0.000	1	120.4448	1.561	44	120.2237	1.977	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)2(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	119.4357	0.646	3	119.4357	0.418	3	120.4448	1.561	44	120.2237	1.977	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	121.3563	0.390	4	120.5662	2.707	11	120.4448	1.561	44	120.2237	1.977	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	121.0200	0.001	2	120.5662	2.707	11	120.4448	1.561	44	120.2237	1.977	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|C<4>}	120.7350	0.604	4	120.5662	2.707	11	120.4448	1.561	44	120.2237	1.977	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	115.8230	0.000	1	120.5662	2.707	11	120.4448	1.561	44	120.2237	1.977	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]O)(N[6]C[6]C)(CHHN)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CHHN){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	121.5590	0.000	1	121.5590	0.000	1	120.4448	1.561	44	120.2237	1.977	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)2(CH3){1|N<2>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>}	121.9420	0.000	1	121.9420	0.000	1	120.4448	1.561	44	120.2237	1.977	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:Ga-4:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	N[6](C[6]C[6]C)2(GaC3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(GaC3){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|C<4>}	117.8590	0.000	1	117.8590	0.000	1	117.8590	0.000	1	120.2237	1.977	48	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6]C)(CH3)	C[6](C[6]N[5,6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6a]N[5,6])(N[6]C[6]C)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]N[5,6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	123.0490	0.000	1	123.0490	0.000	1	123.0490	0.000	1	120.2540	5.987	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CF3){1|Mo<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	118.4990	0.000	1	118.4990	0.000	1	118.4990	0.000	1	120.2540	5.987	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]OO){1|C<4>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	119.2140	0.000	1	119.2140	0.000	1	119.2140	0.000	1	120.2540	5.987	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]O[6]O)(CCHH){1|N<3>,2|C<4>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.7020	0.000	1	123.7020	0.000	1	123.7020	0.000	1	124.4020	0.980	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:S[6]-2:O-1:	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(S[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[6](N[6]C[6]C)(S[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	125.1020	0.000	1	125.1020	0.000	1	125.1020	0.000	1	124.4020	0.980	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:2:2:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<2>,1|O<1>,1|S<2>}	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|C<4>,2|O<1>}	119.9500	0.020	2	119.9500	0.000	2	119.9500	0.000	2	119.9500	0.000	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[3,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3)	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	125.2130	0.372	2	125.0768	0.072	4	125.0768	0.072	4	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[3,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3)	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.9405	0.046	2	125.0768	0.072	4	125.0768	0.072	4	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[4,5,6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[4,5,6]O)(C[6]C[6]H)(CH3)	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(N[6]C[6]C)(O)	C[6](C[6]C[4,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[4,5,6]O)(C[6]C[6]H)(CH3){1|H<1>,3|C<4>}	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[4,6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	122.8150	0.000	1	122.8150	0.000	1	122.8150	0.000	1	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[4,6,6]-4:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3)	C[6](C[4,6,6]C[6,6,6a]C[4,6]C[4])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3){1|C<4>,3|C<3>}	C[6](C[4,6,6]C[6,6,6a]C[4,6]C[4])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.9700	0.000	1	123.9700	0.000	1	123.9700	0.000	1	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[4,6]-4:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[4,6]O)(CH3)	C[6](C[4,6]C[6,6a]C[4,5]O[4])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[4,6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[6](C[4,6]C[6,6a]C[4,5]O[4])(N[6]C[6]C)(O){1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.8538	0.217	5	123.8538	0.047	5	123.8538	0.047	5	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[4,6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[4,6]O)(C[6]C[6]H)(CC[6a]HH)	C[6](C[4,6]N[4,6]C[6a]C[4])(N[6]C[6]C)(O)	C[6](C[6]N[4,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[4,6]O)(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[4,6]N[4,6]C[6a]C[4])(N[6]C[6]C)(O){1|H<1>,5|C<3>}	C[6](C[6]N[4,6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	123.6110	0.000	1	123.6110	0.000	1	123.6110	0.000	1	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[4,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	C[6](C[4,6]C[4,6]2C)(N[6]C[6]C)(O)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){4|C<4>}	C[6](C[4,6]C[4,6]2C)(N[6]C[6]C)(O){1|O<1>,2|N<3>,3|C<4>}	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	124.6260	0.000	1	124.6260	0.000	1	124.9215	0.339	17	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[4,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){1|H<1>,3|C<4>}	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	125.1121	0.548	8	124.9104	0.259	13	124.9215	0.339	17	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[4,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){1|H<1>,3|C<4>}	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O){1|O<1>,2|N<3>,3|C<4>}	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	124.5876	0.202	5	124.9104	0.259	13	124.9215	0.339	17	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[4,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6]C)(O)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){4|C<4>}	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>}	124.6200	0.000	1	124.4750	0.042	2	124.9215	0.339	17	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[4,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6]C)(O)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){4|C<4>}	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.3300	0.000	1	124.4750	0.042	2	124.9215	0.339	17	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[4,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	C[6](C[4,6]C[4,6]O[4]C)(N[6]C[6]C)(O)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	C[6](C[4,6]C[4,6]O[4]C)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	126.2550	0.000	1	126.2550	0.000	1	124.9215	0.339	17	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6,6]C[5,6,6]N[5]O[6])(N[6]C[6]C)(O)	C[6](N[6]C[5,6,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[5,6,6]O)(C[6]N[6]O)(CH3){1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]N[5]O[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](N[6]C[5,6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	124.8655	0.114	2	124.8655	0.013	2	124.8655	0.013	2	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[6]C[5,6]O)(CH3)	C[6](C[5,6]C[6,6a]C[5]O[5])(N[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[5,6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]O[5])(N[6]C[6]C)(O){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.9541	0.454	7	123.9541	0.206	7	123.9541	0.206	7	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]C)(O)	C[6](C[6]N[5,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]C)(O){1|H<1>,6|C<3>}	C[6](C[6]N[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	122.3740	0.000	1	122.3740	0.000	1	122.3740	0.000	1	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]N[5,6]O)(N[6]C[6]C)(O){1|O<1>,2|C<4>}	123.3640	0.803	2	123.3640	0.645	2	123.3640	0.645	2	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CCCH)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	124.6790	0.000	1	124.6790	0.000	1	124.6719	0.415	24	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	125.2845	0.347	2	125.2845	0.121	2	124.6719	0.415	24	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.2470	0.232	2	124.6180	0.271	14	124.6719	0.415	24	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.6310	0.443	2	124.6180	0.271	14	124.6719	0.415	24	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.6690	0.133	2	124.6180	0.271	14	124.6719	0.415	24	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.3695	0.791	4	124.6180	0.271	14	124.6719	0.415	24	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<1>,2|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	125.0220	0.455	2	124.6180	0.271	14	124.6719	0.415	24	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	125.0180	0.023	2	124.6180	0.271	14	124.6719	0.415	24	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	125.0150	0.380	2	125.0150	0.145	2	124.6719	0.415	24	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.0035	0.354	2	124.7587	0.805	4	124.6719	0.415	24	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O){1|N<3>,2|O<1>,3|C<3>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	125.5140	0.083	2	124.7587	0.805	4	124.6719	0.415	24	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5]N[5]N[6])(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|N<3>}	C[6](C[5,6]C[5]N[5]N[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<1>}	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<4>,1|H<1>,1|O<1>}	123.1600	0.000	1	123.1600	0.000	1	124.6719	0.415	24	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	N[6,6]-3:N[6]-3:S-1:	N[6](C[6]C[6,6]O)(C[6]N[6,6]S)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(S)	N[6](C[6]C[6,6]O)(C[6]N[6,6]S)(CC[6a]HH){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|N<3>,1|S<1>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(S){1|O<1>,2|C<4>,4|H<1>}	120.7610	0.000	1	120.7610	0.000	1	120.7610	0.000	1	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	124.0560	0.000	1	124.0560	0.000	1	124.7707	0.213	25	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<2>,1|O<1>}	124.8850	0.000	1	124.8850	0.000	1	124.7707	0.213	25	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6,6]N[6]O)(N[6]C[6]C)(O)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[6](C[6,6]C[6,6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<2>,1|O<1>}	125.6920	0.000	1	125.6920	0.000	1	124.7707	0.213	25	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	125.0038	0.312	6	124.7561	0.178	22	124.7707	0.213	25	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.9245	0.223	2	124.7561	0.178	22	124.7707	0.213	25	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.5692	0.403	4	124.7561	0.178	22	124.7707	0.213	25	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.3245	0.554	2	124.7561	0.178	22	124.7707	0.213	25	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.7190	0.462	6	124.7561	0.178	22	124.7707	0.213	25	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.7615	0.633	2	124.7561	0.178	22	124.7707	0.213	25	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)2(CCHH)	C[6](C[6]N[6]CC)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CCHH){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]N[6]CC)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|O<1>,2|C<4>}	123.6040	0.000	1	123.6040	0.000	1	122.8494	0.913	7	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	124.3630	0.000	1	124.3630	0.000	1	122.8494	0.913	7	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|O<1>,2|C<4>}	122.3958	0.631	5	122.3958	0.398	5	122.8494	0.913	7	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CC3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CC3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	117.4380	0.272	2	117.4380	0.074	2	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[5]C[6]H)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.9230	0.016	2	124.9230	0.000	2	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]2C)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	123.4090	0.000	1	123.4090	0.000	1	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.0655	0.295	2	124.0655	0.087	2	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]2O)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]2O)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	125.0115	0.276	2	125.0115	0.076	2	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	123.6570	0.000	1	123.6570	0.000	1	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	125.3735	0.124	2	125.0237	0.375	3	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){4|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[6]C)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.3240	0.000	1	125.0237	0.375	3	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.3957	0.692	8	124.0121	0.604	13	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	123.3982	0.454	5	124.0121	0.604	13	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.8378	0.560	6	124.7435	0.418	12	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<4>,2|C<4>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.5140	0.423	2	124.7435	0.418	12	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.7168	0.946	4	124.7435	0.418	12	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CO)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	124.0865	0.148	2	123.9533	0.064	3	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CO)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	123.6870	0.000	1	123.9533	0.064	3	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]CS)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CS)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	125.0880	0.199	2	125.0880	0.040	2	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,2|C<4>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.6690	0.000	1	123.5143	0.029	4	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,2|C<4>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	123.4370	0.223	2	123.5143	0.029	4	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,2|C<4>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](N[6]C[6]C)2(O){1|O<1>,1|O<2>,2|C<4>}	123.5140	0.000	1	123.5143	0.029	4	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	124.5679	0.710	8	124.2530	0.561	12	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.2590	0.000	1	124.2530	0.561	12	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	123.7447	0.208	3	124.2530	0.561	12	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]PdH)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]PdH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	123.7670	0.168	2	123.7670	0.028	2	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]PtH)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]PtH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	123.7100	0.083	2	123.7100	0.007	2	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,1|S<1>}	123.3900	0.000	1	123.9560	0.641	2	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	124.5220	0.000	1	123.9560	0.641	2	124.0629	1.940	65	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,1|O<1>,2|H<1>}	123.0690	0.000	1	123.0690	0.000	1	123.1748	0.138	5	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(CC[6a]HH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(CC[6a]HH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,1|O<1>,2|H<1>}	123.0340	0.201	2	123.0340	0.040	2	123.1748	0.138	5	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,2|O<1>}	122.9300	0.000	1	123.3685	0.385	2	123.1748	0.138	5	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|S<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,1|O<1>,1|S<1>}	123.8070	0.000	1	123.3685	0.385	2	123.1748	0.138	5	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:S-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(S)	C[6](N[6]C[6]C)2(S)	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(S){1|N<3>,2|S<1>}	C[6](N[6]C[6]C)2(S){1|C<4>,2|S<1>}	123.9830	0.082	2	123.9830	0.007	2	123.1474	0.416	7	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:S-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S)	C[6](N[6]C[6]C)(N[6]C[6]H)(S)	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S){1|N<3>,2|C<3>,2|S<1>}	C[6](N[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,2|S<1>}	123.3200	0.000	1	123.3200	0.000	1	123.1474	0.416	7	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:S-1:	N[6]-3:N[6]-3:S-1:	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S)	C[6](N[6]C[6]C)2(S)	N[6](C[6]C[6]S)(C[6]N[6]S)(CH3){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(S){1|N<3>,2|C<3>,2|S<1>}	C[6](N[6]C[6]C)2(S){1|C<4>,2|S<1>}	122.6865	0.267	4	122.6865	0.071	4	123.1474	0.416	7	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-4:N[6]-3:O-1:	N[5,6]-3:N[6]-3:O-1:	N[6](C[6]N[5,6]O)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(O)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]S)(O)	N[6](C[6]N[5,6]O)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]S)(O){1|O<1>,3|C<4>,3|H<1>}	121.8910	0.000	1	121.8910	0.000	1	121.8910	0.000	1	124.1826	1.335	176	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[6,6]O)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6,6]C[6]2O[6])(N[6]C[6]C)(O)	C[6](C[6]O[6]O)(N[6]C[6]C)(CHH)	N[6](C[6]C[6,6]O)(C[6]C[6]C)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6]2O[6])(N[6]C[6]C)(O){2|H<1>,4|C<3>}	C[6](C[6]O[6]O)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>}	123.0890	0.392	2	123.0890	0.153	2	123.0890	0.153	2	120.8588	6.689	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	N[6]-3:N[6]-3:C-3:	N[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	C[6](N[6]C[6]C)2(CC[6a]C)	N[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>}	C[6](N[6]C[6]C)2(CC[6a]C){1|C<4>,2|O<1>}	118.6285	0.135	2	118.6285	0.018	2	118.6285	0.018	2	120.8588	6.689	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(O)	C[6](C[6]S[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(O){1|C<4>,3|C<3>}	C[6](C[6]S[6]H)(N[6]C[6]C)(CH3){1|C<4>,1|O<1>}	124.0460	0.000	1	124.0460	0.000	1	124.0460	0.000	1	124.0460	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]C)(O)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	124.9180	0.000	1	124.9180	0.000	1	124.7465	0.059	2	124.3303	0.377	25	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(O)	C[6](C[6]C[5,6]HS)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH){1|S<4>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HS)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	124.5750	0.000	1	124.5750	0.000	1	124.7465	0.059	2	124.3303	0.377	25	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)2(CCHH){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|O<1>,2|C<4>,4|H<1>}	125.4203	0.329	3	125.4203	0.108	3	124.9818	0.428	5	124.3303	0.377	25	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)2(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)2(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	124.3240	0.233	2	124.3240	0.054	2	124.9818	0.428	5	124.3303	0.377	25	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	123.9136	0.581	5	123.9136	0.337	5	124.0922	0.461	6	124.3303	0.377	25	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6,6]HS)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CC[6a]HH){1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HS)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	124.9850	0.000	1	124.9850	0.000	1	124.0922	0.461	6	124.3303	0.377	25	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	124.0310	0.068	2	124.0310	0.005	2	124.1085	0.143	12	124.3303	0.377	25	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CCHH){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	124.6440	0.000	1	124.6440	0.000	1	124.1085	0.143	12	124.3303	0.377	25	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CC[6a]HH){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	124.2483	0.321	6	124.2483	0.103	6	124.1085	0.143	12	124.3303	0.377	25	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]O)2(CSiHH)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CSiHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	123.7020	0.270	3	123.7020	0.073	3	124.1085	0.143	12	124.3303	0.377	25	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:O-1:	C[6]-4:N[6]-3:C-3:	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6a]O[6]C)(N[6]C[6]C)(O)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHH)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6]C)(O){1|C<4>,3|C<3>}	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>}	123.4820	0.513	2	123.4820	0.264	2	123.4820	0.264	2	123.4820	0.264	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:C-3:	N[6]-3:O[6]-2:O-1:	N[6](C[6]C[6]C)(C[6]O[6]O)(CCCH)	C[6](C[6]C[6]CC)(N[6]C[6]C)(CHH)	C[6](N[6]C[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]C)(C[6]O[6]O)(CCCH){3|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	As-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]As)(C[6]C[6]H)(CCHH)	C[6](AsC[6a]2Rh)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]As)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](AsC[6a]2Rh)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|As<4>,1|C<3>,1|H<1>}	121.0660	0.000	1	121.0660	0.000	1	121.0660	0.000	1	120.3506	3.626	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.2280	0.000	1	121.2280	0.000	1	120.8580	0.274	2	120.3506	3.626	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	120.4880	0.000	1	120.4880	0.000	1	120.8580	0.274	2	120.3506	3.626	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[4]-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3)	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.5415	0.146	2	121.5987	0.021	3	121.5987	0.021	3	120.3506	3.626	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[4]-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3)	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3){3|C<3>,3|H<1>}	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.7130	0.000	1	121.5987	0.021	3	121.5987	0.021	3	120.3506	3.626	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	P-4:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]P)(CIrHH)	C[6](PC[6a]2Ir)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(CIrHH){1|C<3>,2|H<1>}	C[6](PC[6a]2Ir)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	121.0200	0.000	1	121.0200	0.000	1	121.0200	0.000	1	120.3506	3.626	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6,6]-4:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH)	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H)	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH){2|H<1>,3|C<3>}	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H){1|C<4>,4|C<3>}	117.2785	1.916	2	117.2785	3.669	2	117.2785	3.669	2	120.3506	3.626	9	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC[6a]H)	C[6](C[6]C[6]HS)(N[6]C[6]C)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC[6a]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HS)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	123.0910	0.000	1	123.0910	0.000	1	123.1655	0.011	2	123.1655	0.011	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHH)	C[6](C[6]C[6]CS)(N[6]C[6]C)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CS)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	123.2400	0.000	1	123.2400	0.000	1	123.1655	0.011	2	123.1655	0.011	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	B[5,6]-4:B[5]-4:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]B[5,6]B[5])(C[6]C[6]H)(CCCH)	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]B[5,6]B[5])(C[6]C[6]H)(CCCH){1|C<3>,1|H<1>,1|N<3>,4|O<2>}	C[6](B[5,6]N[6]O[5]2)(B[5]C[5]O[5]2)(N[6]C[6]C){1|C<3>,1|H<1>,2|N<3>,5|C<4>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<4>,2|B<4>}	123.4450	0.021	2	123.4450	0.000	2	123.4450	0.000	2	123.4450	0.000	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	5:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	P-5:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	C[6](PC[6a]2FF)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	C[6](PC[6a]2FF)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<5>}	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:5:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-5:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CFe3C)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CFe3C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	118.4465	1.624	2	118.4465	2.638	2	118.5807	1.373	3	118.2812	1.274	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:5:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-5:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CFe3C)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CFe3C){1|N<2>,2|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	118.8490	0.000	1	118.8490	0.000	1	118.5807	1.373	3	118.2812	1.274	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:5:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Nb-5:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(NbO4)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(NbO4){1|C<3>,2|H<1>}	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.3830	0.000	1	117.3830	0.000	1	117.3830	0.000	1	118.2812	1.274	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:5:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-5:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(BIrH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NIrC)	N[6](C[6]C[6]H)(C[6]C[6]N)(BIrH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NIrC){1|C<3>,2|H<1>}	120.1560	0.000	1	120.1560	0.000	1	120.4875	0.165	4	120.4875	0.165	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:5:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-5:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(BMnH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NMnC)	N[6](C[6]C[6]H)(C[6]C[6]N)(BMnH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NMnC){1|C<3>,2|H<1>}	121.0580	0.000	1	121.0580	0.000	1	120.4875	0.165	4	120.4875	0.165	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:5:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-5:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(BRhH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NRhC)	N[6](C[6]C[6]H)(C[6]C[6]N)(BRhH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NRhC){1|C<3>,2|H<1>}	120.2420	0.000	1	120.2420	0.000	1	120.4875	0.165	4	120.4875	0.165	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:5:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:B-5:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]H)(C[6]C[6]N)(BRuH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NRuC)	N[6](C[6]C[6]H)(C[6]C[6]N)(BRuH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NRuC){1|C<3>,2|H<1>}	120.4940	0.000	1	120.4940	0.000	1	120.4875	0.165	4	120.4875	0.165	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:5:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:B-5:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(BCuH3)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	N[6](C[6]C[6]C)(C[6]C[6]H)(BCuH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,2|H<1>}	119.4400	0.078	3	119.4400	0.006	3	119.4400	0.006	3	119.4400	0.006	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:5:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:In-5:	C[6a]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(InCl3O)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]In)(C[6]C[6]H)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(InCl3O){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]In)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8800	0.000	1	118.8800	0.000	1	118.8800	0.000	1	118.8800	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:6:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:As-6:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(AsN5)	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(AsN5){1|C<3>,2|H<1>}	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.1600	0.000	1	118.1600	0.000	1	118.1600	0.000	1	117.8993	0.924	11	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:6:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Ga-6:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ga)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]Ga)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ga)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(N[6]C[6]Ga)(H){1|H<1>,2|C<3>}	118.6787	1.165	3	118.6787	1.356	3	118.6787	1.356	3	117.8993	0.924	11	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:6:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:In-6:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(InN[6]N4)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(InN[6]N4){1|C<3>,2|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.4700	0.000	1	118.4700	0.000	1	118.4700	0.000	1	117.8993	0.924	11	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:6:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Nb-6:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(NbCl2NOO)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(NbCl2NOO){1|C<3>,2|H<1>}	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	116.1750	0.000	1	116.1750	0.000	1	117.1642	0.339	5	117.8993	0.924	11	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:6:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Nb-6:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(NbCl3OO)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(NbCl3OO){1|C<3>,2|H<1>}	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.3970	0.000	1	117.3970	0.000	1	117.1642	0.339	5	117.8993	0.924	11	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:6:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Nb-6:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(NbCl4O)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(NbCl4O){1|C<3>,2|H<1>}	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.3370	0.305	2	117.3370	0.093	2	117.1642	0.339	5	117.8993	0.924	11	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:6:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Nb-6:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(NbClO4)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(NbClO4){1|C<3>,2|H<1>}	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.5750	0.000	1	117.5750	0.000	1	117.1642	0.339	5	117.8993	0.924	11	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:3:6:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Si-6:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[6]C[6]H)2(SiF5)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(SiF5){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.4050	0.000	1	118.4050	0.000	1	118.4050	0.000	1	117.8993	0.924	11	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[5]-4:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(O)	C[6](C[6]C[6,6a]O)(N[6]C[5]C[6])(O)	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O){3|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(O){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(N[6]C[5]C[6])(O){1|H<1>,1|O<1>,4|C<3>}	124.8100	0.000	1	124.8100	0.000	1	124.8100	0.000	1	123.4020	3.965	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:N[6]-3:O-1:	N[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(O)	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]N[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	121.9940	0.000	1	121.9940	0.000	1	121.9940	0.000	1	123.4020	3.965	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:4:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-4:C[6]-3:	C[6a]-3:N[6]-3:O[6]-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O)	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6])	C[6](N[6]B[6]C)(N[6]C[6]2)(O)	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|F<1>,4|C<3>}	C[6](N[6]B[6]C)(N[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	120.2378	0.389	4	120.2378	0.151	4	120.1968	0.398	12	120.1968	0.398	12	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:4:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-4:C[6]-3:	C[6a]-3:N[6]-3:O[6]-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O)	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6])	C[6](N[6]B[6]C[6])(N[6]C[6]2)(O)	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|F<1>,4|C<3>}	C[6](N[6]B[6]C[6])(N[6]C[6]2)(O){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	121.4710	0.000	1	121.4710	0.000	1	120.1968	0.398	12	120.1968	0.398	12	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:4:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-4:C[6]-3:	C[6a]-3:N[6]-3:O[6]-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O)	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6])	C[6](N[6]C[6a]B[6])(N[6]C[6]2)(O)	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]2)(O[6]B[6]){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|F<1>,4|C<3>}	C[6](N[6]C[6a]B[6])(N[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	119.9913	0.578	7	119.9913	0.334	7	120.1968	0.398	12	120.1968	0.398	12	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	3:4:3:	4:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]2)(O)	C[6](C[6]N[5,6]O)(N[6]C[6]2)(CHH)	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]2)(O){1|H<1>,2|C<4>,7|C<3>}	C[6](C[6]N[5,6]O)(N[6]C[6]2)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	120.8050	0.000	1	120.8050	0.000	1	120.8050	0.000	1	120.8050	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](C[6]C[5a]C[6])(N[6]C[5]C[6])(H)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[5]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>,2|O<2>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.8630	0.000	1	121.8630	0.000	1	121.8630	0.000	1	120.9930	0.793	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.1220	0.000	1	120.1220	0.000	1	120.8480	0.775	6	120.9930	0.793	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.5830	0.000	1	121.3770	0.099	4	120.8480	0.775	6	120.9930	0.793	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	121.3083	0.346	3	121.3770	0.099	4	120.8480	0.775	6	120.9930	0.793	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]F)(H)	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]F)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.4580	0.000	1	119.4580	0.000	1	120.8480	0.775	6	120.9930	0.793	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](BB[4x3,3x5,12x6]N[6]H)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BB[4x3,3x5,12x6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	116.8170	0.047	2	116.8170	0.002	2	117.8746	0.744	25	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[5a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[5a]C[6a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.1700	0.000	1	118.1700	0.000	1	117.8746	0.744	25	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6]N[6]H)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	117.4663	0.398	4	117.4663	0.158	4	117.8746	0.744	25	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]2B[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2B[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	117.8640	0.000	1	117.8640	0.000	1	117.8746	0.744	25	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]2C[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	116.1100	0.000	1	117.5504	0.734	5	117.8746	0.744	25	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]2C[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	117.9105	0.338	4	117.5504	0.734	5	117.8746	0.744	25	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]2Cl)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2Cl)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.4472	0.341	4	118.4472	0.116	4	117.8746	0.744	25	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]2N[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2N[5a])(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	115.6620	0.000	1	115.6620	0.000	1	117.8746	0.744	25	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]C[5]2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	119.0500	0.000	1	119.0500	0.000	1	117.8746	0.744	25	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]C[5]C)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]C[5]C)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.2430	0.000	1	118.2430	0.000	1	117.8746	0.744	25	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](BC[6a]ClC)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]ClC)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	118.5670	0.336	5	118.5670	0.113	5	117.8746	0.744	25	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[3a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3a]C[3a]2C[6a])(C[6]C[6]H)2	C[6](N[6]B[3a]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3a]C[6])(C[6]C[6]H)(H)	N[6](B[3a]C[3a]2C[6a])(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]B[3a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]B[3a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	116.5870	0.000	1	116.5870	0.000	1	116.5870	0.000	1	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3x6]C[3x6]C[6,6]2)(C[6]C[6]H)2	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x6]C[3x6]C[6,6]2)(C[6]C[6]H)2{1|C<3>,5|C<4>,6|H<1>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	117.3830	0.000	1	117.3830	0.000	1	118.0292	0.580	5	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3x6]C[6,6,6a]C[6,6]2)(C[6]C[6]H)2	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x6]C[6,6,6a]C[6,6]2)(C[6]C[6]H)2{4|H<1>,5|C<3>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	117.1330	0.000	1	117.1330	0.000	1	118.0292	0.580	5	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{1|C<2>,1|C<4>,3|C<3>,5|H<1>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.8990	0.000	1	118.5433	0.152	3	118.0292	0.580	5	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{1|C<3>,3|C<4>,8|H<1>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	118.1260	0.000	1	118.5433	0.152	3	118.0292	0.580	5	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{4|H<1>,5|C<3>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	118.6050	0.000	1	118.5433	0.152	3	118.0292	0.580	5	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[3x6a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3x6a]C[3x6a]3)(C[6]C[6]H)2	C[6](N[6]B[3x6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3x6a]C[6])(C[6]C[6]H)(H)	N[6](B[3x6a]C[3x6a]3)(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]B[3x6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]B[3x6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	117.0675	0.244	2	117.0675	0.060	2	117.0675	0.060	2	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5]C[5,6a]2C[6a])(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5,6a]2C[6a])(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	117.9723	0.192	3	117.9723	0.037	3	118.2432	0.480	16	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	117.9300	0.000	1	118.4044	0.094	5	118.2432	0.480	16	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,3|C<3>}	118.5230	0.179	4	118.4044	0.094	5	118.2432	0.480	16	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5]C[5]2Cl)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5]2Cl)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	118.2500	0.000	1	118.2500	0.000	1	118.2432	0.480	16	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5]C[5]2N[6])(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5]2N[6])(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	118.1420	0.000	1	118.1420	0.000	1	118.2432	0.480	16	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5]C[5]3)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5]3)(C[6]C[6]H)2{1|Mn<8>,2|C<4>,2|H<1>,5|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	117.1120	0.000	1	117.1120	0.000	1	118.2432	0.480	16	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5]C[5a]C[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5a]C[5]2)(C[6]C[6]H)2{1|S<2>,2|H<1>,6|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	116.8630	0.000	1	116.8630	0.000	1	118.2432	0.480	16	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	118.2090	0.000	1	118.3215	0.025	2	118.2432	0.480	16	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2{2|Si<4>,2|H<1>,5|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	118.4340	0.000	1	118.3215	0.025	2	118.2432	0.480	16	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5]N[6]O[5]2)(C[6]C[6]H)2	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]N[6]O[5]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	119.4710	0.383	2	119.4710	0.147	2	118.2432	0.480	16	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[5a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	118.8720	0.075	2	118.3080	0.957	3	118.5727	0.340	8	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[5a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	117.1800	0.000	1	118.3080	0.957	3	118.5727	0.340	8	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[5a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2{2|H<1>,3|C<3>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.6510	0.147	3	118.7316	0.032	5	118.5727	0.340	8	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[5a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2{2|H<1>,3|C<3>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	118.8525	0.193	2	118.7316	0.032	5	118.5727	0.340	8	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[6,6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6,6]C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	N[6](B[6,6]C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	117.8283	0.393	6	117.8283	0.155	6	117.7009	0.425	8	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[6,6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6,6]C[6,6]2C)(C[6]C[6]H)2	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	N[6](B[6,6]C[6,6]2C)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	118.2700	0.000	1	118.2700	0.000	1	117.7009	0.425	8	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[6,6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6,6]C[6,6]2H)(C[6]C[6]H)2	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	N[6](B[6,6]C[6,6]2H)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	116.3670	0.000	1	116.3670	0.000	1	117.7009	0.425	8	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2{2|Fe<10>,2|H<1>,3|C<3>,4|C<4>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	116.5190	0.000	1	117.1670	0.333	3	117.3926	1.177	7	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2{2|Fe<10>,2|H<1>,3|C<3>,4|C<4>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	117.4910	0.192	2	117.1670	0.333	3	117.3926	1.177	7	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6]C[6]2Cl)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[6]2Cl)(C[6]C[6]H)2{1|Si<4>,3|C<3>,3|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	118.7970	0.000	1	118.7970	0.000	1	117.3926	1.177	7	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6]C[6]2H)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[6]2H)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	116.5500	0.000	1	116.5500	0.000	1	117.3926	1.177	7	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6]C[6a]C[6]2)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[6a]C[6]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	118.7830	0.000	1	118.7830	0.000	1	117.3926	1.177	7	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6]N[5a,6]2H)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]N[5a,6]2H)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|N<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|N<3>}	116.1170	0.000	1	116.1170	0.000	1	117.3926	1.177	7	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[6a,6a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6a,6a]B[6a,6a]O[6a]2)(C[6]C[6]H)2	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H)	N[6](B[6a,6a]B[6a,6a]O[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	118.0490	0.052	2	118.0490	0.003	2	118.0050	0.007	4	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[6a,6a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6a,6a]C[6a,6a]2C[3x6a])(C[6]C[6]H)2	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H)	N[6](B[6a,6a]C[6a,6a]2C[3x6a])(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	117.9610	0.098	2	117.9610	0.010	2	118.0050	0.007	4	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[6a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6a]C[6a]O[6a]2)(C[6]C[6]H)2	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	N[6](B[6a]C[6a]O[6a]2)(C[6]C[6]H)2{2|B<3>,2|H<1>,3|C<3>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>}	118.7760	0.000	1	118.7760	0.000	1	119.0266	0.325	5	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[6a]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[6a]O[6a]2N[6])(C[6]C[6]H)2	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	N[6](B[6a]O[6a]2N[6])(C[6]C[6]H)2{2|B<3>,2|H<1>,3|C<3>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	119.0893	0.639	4	119.0893	0.408	4	119.0266	0.325	5	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](CB[3x3,3x5,12x6]HH)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](CB[3x3,3x5,12x6]HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.6060	0.000	1	120.6060	0.000	1	120.5087	0.188	9	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](CC[3x3,3x5,12x6]HH)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](CC[3x3,3x5,12x6]HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.8243	0.404	3	120.8243	0.163	3	120.5087	0.188	9	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](CC[6a]C[5]H)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](CC[6a]C[5]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.3650	0.000	1	120.3650	0.000	1	120.5087	0.188	9	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](CN[3x6]HH)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](CN[3x6]HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.2835	0.464	4	120.2835	0.215	4	120.5087	0.188	9	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[4]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[4]C[4]2C)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	N[6](C[4]C[4]2C)(C[6]C[6]H)2{1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.3170	0.000	1	118.3170	0.000	1	118.3170	0.000	1	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]2H)(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]2H)(C[6]C[6]H)2{1|C<3>,2|C<4>,6|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.9370	0.000	1	121.9370	0.000	1	122.0040	0.004	3	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.0375	0.029	2	122.0375	0.001	2	122.0040	0.004	3	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]B)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](N[6]C[5]C[6])(N[6]C[6]B)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9140	0.000	1	120.9140	0.000	1	121.2402	0.221	35	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2827	0.501	25	121.2348	0.223	33	121.2402	0.221	35	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.5060	0.000	1	121.2348	0.223	33	121.2402	0.221	35	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2415	0.726	2	121.2348	0.223	33	121.2402	0.221	35	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9388	0.083	5	121.2348	0.223	33	121.2402	0.221	35	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:O-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[5]C[6])(N[6]C[6]Os)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|Os<8>,3|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|Os<8>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	C[6](N[6]C[5]C[6])(N[6]C[6]Os)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.7440	0.000	1	121.7440	0.000	1	121.2402	0.221	35	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]B[5x3,5x5,21x6]C[6]H)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]B[5x3,5x5,21x6]C[6]H)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|C<6>,4|B<6>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	120.1300	0.000	1	120.1300	0.000	1	119.9497	0.325	3	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]H)2{1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|C<4>,2|C<3>,3|H<1>}	120.4080	0.000	1	119.8595	0.602	2	119.9497	0.325	3	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]2H)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3110	0.000	1	119.8595	0.602	2	119.9497	0.325	3	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Ga-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](GaC[6a]Cl2)(C[6]C[6]H)2	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](GaC[6a]Cl2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.1290	0.000	1	119.1290	0.000	1	119.1290	0.000	1	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Ga[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]C)(H)	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]C)(H)	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|C<4>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]C)(H){1|C<3>,2|H<1>,3|S<2>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]C)(H){1|C<3>,2|H<1>,3|S<2>}	118.7403	0.326	4	118.7403	0.107	4	118.0742	0.973	9	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Ga[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|S<2>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|S<2>}	117.5295	0.465	2	117.5414	1.067	5	118.0742	0.973	9	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Ga[3x6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|S<2>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|S<2>}	117.5493	1.424	3	117.5414	1.067	5	118.0742	0.973	9	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Ga[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ga[5]N[5]2I)(C[6]C[6]H)2	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H)	N[6](Ga[5]N[5]2I)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|I<1>,2|H<1>,2|N<3>}	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|I<1>,2|H<1>,2|N<3>}	118.9220	0.000	1	118.9220	0.000	1	118.7400	0.058	4	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Ga[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ga[5]N[5]2P)(C[6]C[6]H)2	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H)	N[6](Ga[5]N[5]2P)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|P<2>,2|H<1>,2|N<3>}	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|P<2>,2|H<1>,2|N<3>}	118.6793	0.256	3	118.6793	0.066	3	118.7400	0.058	4	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Ga[6,6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ga[6,6]S[6,6]S[6]2)(C[6]C[6]H)2	C[6](N[6]Ga[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Ga[6,6]C[6])(C[6]C[6]H)(H)	N[6](Ga[6,6]S[6,6]S[6]2)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	C[6](N[6]Ga[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|S<2>}	C[6](N[6]Ga[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|S<2>}	117.4770	0.000	1	117.4770	0.000	1	117.4770	0.000	1	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Ga[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ga[6]C[6]2Cl)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	N[6](Ga[6]C[6]2Cl)(C[6]C[6]H)2{2|Si<4>,2|H<1>,3|C<3>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	118.4130	0.000	1	118.4130	0.000	1	118.7536	1.310	19	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Ga[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ga[6]N[6]2P)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	N[6](Ga[6]N[6]2P)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|P<2>,2|H<1>,2|N<3>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|P<2>,2|H<1>,2|N<3>}	118.3740	0.000	1	118.3740	0.000	1	118.7536	1.310	19	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Ga[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ga[6]N[6]S[6]2)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	N[6](Ga[6]N[6]S[6]2)(C[6]C[6]H)2{2|Ga<4>,2|H<1>,3|C<3>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<3>,2|S<2>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<3>,2|S<2>}	116.6145	0.665	2	116.6145	0.443	2	118.7536	1.310	19	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Ga[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Br<1>,1|C<3>,2|H<1>,2|S<2>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Br<1>,1|C<3>,2|H<1>,2|S<2>}	119.6460	0.128	3	119.6460	0.016	3	118.7536	1.310	19	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Ga[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|H<1>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|S<2>}	117.4033	0.553	3	117.4033	0.306	3	118.7536	1.310	19	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Ga[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ga[6]S[6]2Cl)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	N[6](Ga[6]S[6]2Cl)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Cl<1>,1|C<3>,2|H<1>,2|S<2>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Cl<1>,1|C<3>,2|H<1>,2|S<2>}	119.2633	0.263	3	119.2633	0.069	3	118.7536	1.310	19	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Ga[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ga[6]Se[6]2Br)(C[6]C[6]H)2	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	N[6](Ga[6]Se[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Br<1>,2|Se<2>,1|C<3>,2|H<1>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Br<1>,2|Se<2>,1|C<3>,2|H<1>}	119.5608	0.283	6	119.5608	0.080	6	118.7536	1.310	19	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	In-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](InC[6a]II)(C[6]C[6]H)2	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](InC[6a]II)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.0880	0.000	1	119.0880	0.000	1	119.0880	0.000	1	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	In[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](In[6]C[6]2C)(C[6]C[6]H)2	C[6](N[6]In[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]In[6]C[6])(C[6]C[6]H)(H)	N[6](In[6]C[6]2C)(C[6]C[6]H)2{2|Si<4>,2|H<1>,3|C<3>}	C[6](N[6]In[6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]In[6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	117.7330	0.000	1	117.7330	0.000	1	117.7330	0.000	1	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](PC[6a]Se2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](PC[6a]Se2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	119.6710	0.000	1	119.6710	0.000	1	119.6710	0.000	1	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Si-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](SiC[6a]2C)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiC[6a]2C)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.7930	0.000	1	116.7930	0.000	1	117.0715	0.951	4	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Si-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](SiC[6a]2W)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiC[6a]2W)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.5120	0.000	1	117.5150	2.012	2	117.0715	0.951	4	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Si-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](SiC[6a]2W)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiC[6a]2W)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.5180	0.000	1	117.5150	2.012	2	117.0715	0.951	4	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Si-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](SiC[6a]CoH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiC[6a]CoH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.4630	0.000	1	116.4630	0.000	1	117.0715	0.951	4	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Si[4]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Si[4]N[4]2W)(C[6]C[6]H)2	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H)	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H)	N[6](Si[4]N[4]2W)(C[6]C[6]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|W<6>,3|N<3>}	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|W<6>,3|N<3>}	116.6590	0.000	1	116.6590	0.000	1	116.6590	0.000	1	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Si[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Si[5]C[5]2O)(C[6]C[6]H)2	C[6](N[6]Si[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]Si[5]C[6])(C[6]C[6]H)(H)	N[6](Si[5]C[5]2O)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6](N[6]Si[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](N[6]Si[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	116.7950	0.000	1	116.7950	0.000	1	116.7950	0.000	1	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Si[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Si[6]N[6]2O)(C[6]C[6]H)2	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	N[6](Si[6]N[6]2O)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	117.2450	0.000	1	117.0185	0.103	2	116.8240	0.165	3	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Si[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Si[6]N[6]2O)(C[6]C[6]H)2	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	N[6](Si[6]N[6]2O)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|N<3>}	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|N<3>}	116.7920	0.000	1	117.0185	0.103	2	116.8240	0.165	3	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Si[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Si[6]N[6]2P)(C[6]C[6]H)2	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	N[6](Si[6]N[6]2P)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>,3|N<3>}	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>,3|N<3>}	116.4350	0.000	1	116.4350	0.000	1	116.8240	0.165	3	118.9333	2.599	178	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:2:	Si-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	N[6](SiC[6a]2W)(C[6]C[6]H)(C[6]C[6]S)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(SW)	N[6](SiC[6a]2W)(C[6]C[6]H)(C[6]C[6]S){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(SW){1|C<3>,2|H<1>}	120.0560	0.000	1	120.0560	0.000	1	120.0560	0.000	1	120.0560	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:4:	Ga-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3)	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	119.0120	0.000	1	119.0120	0.000	1	119.0120	0.000	1	119.0120	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	P[6]-3:N[6]-3:N-2:	N[6]-3:N[6]-3:O-1:	N[6](C[6]C[6]2H)(C[6]N[6]O)(C[6]P[6]N)	C[6](P[6]C[6]Cu)(N[6]C[6]2)(NC[6])	C[6](N[6]C[6]2)2(O)	N[6](C[6]C[6]2H)(C[6]N[6]O)(C[6]P[6]N){1|Cu<2>,1|C<3>,3|C<4>,4|H<1>}	C[6](P[6]C[6]Cu)(N[6]C[6]2)(NC[6]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[6](N[6]C[6]2)2(O){1|P<3>,2|H<1>,2|N<2>,4|C<4>}	124.2425	1.213	2	124.2425	1.471	2	124.2425	1.471	2	124.2425	1.471	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:3:	3:3:1:	B[6]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CCH)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CCH){3|C<3>,3|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	118.7400	0.000	1	118.7400	0.000	1	118.7400	0.000	1	118.7400	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:3:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6]2)(CC[6a]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]2)(O)	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]2)(CC[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6]2)(O){1|H<1>,2|C<4>,5|C<3>}	117.9050	0.000	1	117.9050	0.000	1	117.9050	0.000	1	117.9050	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:4:	3:3:1:	B[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(CB[5]HH)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>,4|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(CB[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.7920	0.000	1	118.7920	0.000	1	118.7920	0.000	1	119.8335	2.169	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]O)(CH3)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<1>,2|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,1|S<1>,2|C<4>}	120.8750	0.000	1	120.8750	0.000	1	120.8750	0.000	1	119.8335	2.169	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:3:4:	3:3:3:	C[3]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-3:	N[6](C[3]C[3]2H)(C[6]C[6]C)2	C[6](N[6]C[3]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[3]C[6])(C[6]C[6]O)(CNO)	N[6](C[3]C[3]2H)(C[6]C[6]C)2{1|C<3>,1|O<2>,5|H<1>}	C[6](N[6]C[3]C[6])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[6]C[3]C[6])(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.2363	0.161	3	121.2363	0.026	3	121.2363	0.026	3	121.2363	0.026	3	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	4:3:3:	3:4:3:	3:3:1:	B[6,6]-4:C[6]-3:C[6]-3:	N[6]-3:C-4:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[6,6]C[6])(CB[6,6]HH)(C[6]C[6]H)	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	C[6](N[6]B[6,6]C[6])(CB[6,6]HH)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,4|C<4>}	117.3300	0.093	2	117.3300	0.009	2	117.3300	0.009	2	117.3300	0.009	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	B[3,3,5,3x6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(C[6]C[6]H)2	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(C[6]C[6]H)2{1|C<3>,2|H<2>,4|B<6>,5|H<1>}	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H){1|C<3>,3|B<6>,3|H<1>}	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H){1|C<3>,3|B<6>,3|H<1>}	118.7090	0.000	1	118.7090	0.000	1	118.7090	0.000	1	118.4010	2.412	20	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Ni)(C[6]C[6]H)2	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Ni)(C[6]C[6]H)2{1|C<3>,1|C<5>,1|N<3>,3|B<6>,4|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Ni<9>,1|B<5>,1|C<3>,2|B<6>,2|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Ni<9>,1|B<5>,1|C<3>,2|B<6>,2|H<1>}	119.0640	0.000	1	119.0640	0.000	1	118.9420	0.048	3	118.4010	2.412	20	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]H)2	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]H)2{1|C<3>,4|B<6>,5|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<8>,1|C<3>,2|H<1>,3|B<6>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<8>,1|C<3>,2|H<1>,3|B<6>}	119.0720	0.000	1	118.8810	0.073	2	118.9420	0.048	3	118.4010	2.412	20	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]H)2	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]H)2{1|C<3>,4|B<6>,5|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<9>,1|C<3>,2|H<1>,3|B<6>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<9>,1|C<3>,2|H<1>,3|B<6>}	118.6900	0.000	1	118.8810	0.073	2	118.9420	0.048	3	118.4010	2.412	20	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	B[3,3,5,6,6a,6a]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3,3,5,6,6a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H)(C[6]C[6]H)2	C[6](N[6]B[3,3,5,6,6a,6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3,3,5,6,6a,6a]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,6,6a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H)(C[6]C[6]H)2{1|C<3>,1|H<2>,1|N<4>,3|B<6>,5|H<1>}	C[6](N[6]B[3,3,5,6,6a,6a]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,2|B<6>,3|H<1>}	C[6](N[6]B[3,3,5,6,6a,6a]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,2|B<6>,3|H<1>}	118.6230	0.000	1	118.6230	0.000	1	118.6230	0.000	1	118.4010	2.412	20	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	B[3x3,5,5,6,6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3x3,5,5,6,6]B[6x3,3x5,6x6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6])(C[6]C[6]H)2	C[6](N[6]B[3x3,5,5,6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3x3,5,5,6,6]C[6])(C[6]C[6]H)(H)	N[6](B[3x3,5,5,6,6]B[6x3,3x5,6x6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6])(C[6]C[6]H)2{1|B<5>,1|B<7>,1|C<3>,2|H<2>,4|B<6>,5|H<1>}	C[6](N[6]B[3x3,5,5,6,6]C[6])(C[6]C[6]H)(H){1|B<5>,1|B<7>,1|C<3>,2|B<6>,2|H<1>}	C[6](N[6]B[3x3,5,5,6,6]C[6])(C[6]C[6]H)(H){1|B<5>,1|B<7>,1|C<3>,2|B<6>,2|H<1>}	118.9610	0.000	1	118.9610	0.000	1	118.9610	0.000	1	118.4010	2.412	20	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	B[3x3,5,5,7x6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]B[3,3,5,4x6])(C[6]C[6]H)2	C[6](N[6]B[3x3,5,5,7x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3x3,5,5,7x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]B[3,3,5,4x6])(C[6]C[6]H)2{1|Ni<9>,1|C<3>,1|C<5>,1|N<3>,3|B<6>,5|H<1>}	C[6](N[6]B[3x3,5,5,7x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	C[6](N[6]B[3x3,5,5,7x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	118.2140	0.000	1	118.2140	0.000	1	118.2140	0.000	1	118.4010	2.412	20	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	B[4x3,4x5,4x6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6]C[6]H)2	C[6](N[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6]C[6]H)2{1|C<3>,4|B<6>,6|H<1>}	C[6](N[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,4|B<6>}	C[6](N[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,4|B<6>}	118.2675	0.087	2	118.2675	0.008	2	118.2675	0.008	2	118.4010	2.412	20	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	Ga[3x6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ga[3x6]N[5a,6,6]2O[6]2)(C[6]C[6]H)2	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	N[6](Ga[3x6]N[5a,6,6]2O[6]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	117.6220	0.000	1	117.6220	0.000	1	117.6220	0.000	1	118.4010	2.412	20	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	Ge[4x6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ge[4x6]N[5a,6,6]4)(C[6]C[6]H)2	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H)	N[6](Ge[4x6]N[5a,6,6]4)(C[6]C[6]H)2{2|H<1>,9|C<3>}	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|N<3>}	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|N<3>}	118.7710	0.000	1	118.7710	0.000	1	118.7710	0.000	1	118.4010	2.412	20	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	Nb[5]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Nb[5]C[5]N[5]NN)(C[6]C[6]H)2	C[6](N[6]Nb[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]Nb[5]C[6])(C[6]C[6]H)(H)	N[6](Nb[5]C[5]N[5]NN)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]Nb[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](N[6]Nb[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	116.5100	0.000	1	116.5100	0.000	1	116.5100	0.000	1	118.4010	2.412	20	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	Nb[6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Nb[6]N[6]2NO)(C[6]C[6]H)2	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H)	N[6](Nb[6]N[6]2NO)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|N<3>}	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|N<3>}	115.3850	0.000	1	115.3850	0.000	1	115.3850	0.000	1	118.4010	2.412	20	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	Si-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](SiN[6]ClCH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiN[6]ClCH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.8355	0.067	2	117.1215	0.683	4	117.1215	0.683	4	118.4010	2.412	20	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	Si-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](SiN[6]ClCH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiN[6]ClCH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.4075	0.078	2	117.1215	0.683	4	117.1215	0.683	4	118.4010	2.412	20	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	Si[4]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-1:	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S)	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H)	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(S)	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S){2|H<1>,5|C<3>}	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(S){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	121.1260	0.136	3	121.1260	0.018	3	121.1260	0.018	3	118.4010	2.412	20	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:2:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CC)	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<2>,4|B<6>,5|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|H<1>,3|B<6>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CC){1|C<3>,3|B<6>,3|H<1>}	118.1225	0.105	2	118.1225	0.011	2	117.9315	0.071	4	117.9315	0.071	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:2:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CN)	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<2>,4|B<6>,5|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|H<1>,3|B<6>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CN){1|C<3>,3|B<6>,3|H<1>}	117.7405	0.238	2	117.7405	0.057	2	117.9315	0.071	4	117.9315	0.071	4	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:4:	B[3,3,5,3x6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(CH3)	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<2>,1|S<4>,3|B<6>,5|H<1>}	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<4>,2|B<6>,2|H<1>}	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(CH3){1|B<5>,1|C<3>,2|B<6>,3|H<1>}	119.3710	0.000	1	119.3710	0.000	1	119.3710	0.000	1	118.8705	0.501	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:4:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CH3)	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,4|B<6>,5|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<8>,1|C<3>,1|C<4>,1|H<1>,3|B<6>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CH3){1|Rh<8>,1|C<3>,2|H<1>,3|B<6>}	118.3700	0.000	1	118.3700	0.000	1	118.3700	0.000	1	118.8705	0.501	2	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	5:3:3:	3:3:4:	3:3:1:	Ga[6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	N[6](Ga[6]N[6,6]2Cl2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(CC[6a]HH)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	N[6](Ga[6]N[6,6]2Cl2)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(CC[6a]HH){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	117.9390	0.000	1	117.9390	0.000	1	117.9390	0.000	1	117.9390	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	B[3,3,5,3x6]-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]RhH)(C[6]C[6]H)2	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]C)(H)	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]RhH)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|S<3>,3|B<6>,4|H<1>}	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]C)(H){1|Rh<6>,1|B<5>,1|C<3>,1|H<2>,2|B<6>,2|H<1>}	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H){1|Rh<6>,1|B<5>,1|C<3>,1|H<2>,2|B<6>,2|H<1>}	119.0240	0.000	1	119.0240	0.000	1	119.0240	0.000	1	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	B[3x3,3x5,12x6]-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(C[6]C[6]H)2	C[6](N[6]B[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(C[6]C[6]H)2{1|C<3>,2|C<6>,3|B<6>,6|H<1>}	C[6](N[6]B[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|Co<10>,1|H<1>,2|C<3>,4|B<6>}	C[6](N[6]B[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|Co<10>,1|H<1>,2|C<3>,4|B<6>}	118.9710	0.000	1	118.9710	0.000	1	118.9710	0.000	1	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	B[3x3,5,4x6]-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]Rh)(C[6]C[6]H)2	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]Rh)(C[6]C[6]H)2{1|B<5>,1|C<3>,3|B<6>,5|H<1>}	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<6>,1|C<3>,1|H<2>,2|H<1>,3|B<6>}	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<6>,1|C<3>,1|H<2>,2|H<1>,3|B<6>}	119.4520	0.000	1	119.0670	0.296	2	119.0670	0.296	2	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	B[3x3,5,4x6]-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]Rh)(C[6]C[6]H)2	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]Rh)(C[6]C[6]H)2{1|B<5>,1|C<3>,3|B<6>,5|H<1>}	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<7>,1|C<3>,1|H<2>,2|H<1>,3|B<6>}	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<7>,1|C<3>,1|H<2>,2|H<1>,3|B<6>}	118.6820	0.000	1	119.0670	0.296	2	119.0670	0.296	2	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	B[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2	C[6](N[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	N[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2{1|C<3>,5|B<6>,7|H<1>}	C[6](N[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,5|B<6>}	C[6](N[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,5|B<6>}	118.4830	0.199	2	118.4830	0.040	2	118.4830	0.040	2	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2	C[6](N[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	N[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2{1|C<3>,5|B<6>,7|H<1>}	C[6](N[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,5|B<6>}	C[6](N[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,5|B<6>}	119.2700	0.065	2	119.2700	0.004	2	119.2700	0.004	2	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	Ge[4x6]-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Ge[4x6]N[5a,6,6]4N[6])(C[6]C[6]H)2	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H)	N[6](Ge[4x6]N[5a,6,6]4N[6])(C[6]C[6]H)2{11|C<3>,2|H<1>}	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,5|N<3>}	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,5|N<3>}	116.5270	0.000	1	116.5270	0.000	1	116.5270	0.000	1	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	In-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](InN[6]2Br3)(C[6]C[6]H)2	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](InN[6]2Br3)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.3740	0.236	2	118.3740	0.056	2	118.5202	0.343	5	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	In-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](InN[6]2ClNN)(C[6]C[6]H)2	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](InN[6]2ClNN)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.6177	0.789	3	118.6177	0.622	3	118.5202	0.343	5	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	In[3x5]-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](In[3x5]N[3x5]N[5,6]N[5]2Cl)(C[6]C[6]H)2	C[6](N[6]In[3x5]C[6])(C[6]C[6]H)(H)	C[6](N[6]In[3x5]C[6])(C[6]C[6]H)(H)	N[6](In[3x5]N[3x5]N[5,6]N[5]2Cl)(C[6]C[6]H)2{2|H<1>,2|S<4>,3|C<3>,5|C<4>}	C[6](N[6]In[3x5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<4>,2|H<1>,3|N<3>}	C[6](N[6]In[3x5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<4>,2|H<1>,3|N<3>}	118.3770	0.000	1	118.3770	0.000	1	118.3770	0.000	1	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	In[5]-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](In[5]N[6]2O[5]2Cl)(C[6]C[6]H)2	C[6](N[6]In[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]In[5]C[6])(C[6]C[6]H)(H)	N[6](In[5]N[6]2O[5]2Cl)(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]In[5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[6](N[6]In[5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>,2|O<2>}	117.6125	0.023	2	117.6125	0.001	2	117.6125	0.001	2	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	Nb[3,3]-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Nb[3,3]Nb[3,3,6]O[3]2NN)(C[6]C[6]H)2	C[6](N[6]Nb[3,3]C[6])(C[6]C[6]H)(H)	C[6](N[6]Nb[3,3]C[6])(C[6]C[6]H)(H)	N[6](Nb[3,3]Nb[3,3,6]O[3]2NN)(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](N[6]Nb[3,3]C[6])(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>,2|O<2>}	C[6](N[6]Nb[3,3]C[6])(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>,2|O<2>}	116.8580	0.000	1	116.8580	0.000	1	116.8580	0.000	1	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	Nb[3x6]-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Nb[3x6]N[3x6]N[6,6]2ClN)(C[6]C[6]H)2	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H)	N[6](Nb[3x6]N[3x6]N[6,6]2ClN)(C[6]C[6]H)2{2|Si<4>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,3|N<3>}	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,3|N<3>}	117.2150	0.000	1	117.2150	0.000	1	117.3155	0.020	2	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	Nb[3x6]-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Nb[3x6]P[3x6]N[6]3N)(C[6]C[6]H)2	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H)	N[6](Nb[3x6]P[3x6]N[6]3N)(C[6]C[6]H)2{2|H<1>,3|C<4>,7|C<3>}	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|P<4>,2|H<1>,3|N<3>}	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|P<4>,2|H<1>,3|N<3>}	117.4160	0.000	1	117.4160	0.000	1	117.3155	0.020	2	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	Nb[6]-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Nb[6]N[6]2CCN)(C[6]C[6]H)2	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H)	N[6](Nb[6]N[6]2CCN)(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<2>,2|H<1>,2|N<3>}	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<2>,2|H<1>,2|N<3>}	116.4470	0.000	1	116.4470	0.000	1	116.4470	0.000	1	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	Si-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](SiN[6]3HH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,2|C<4>}	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	119.9855	0.163	2	119.9855	0.027	2	118.2949	1.308	10	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	Si-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](SiN[6]3HH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.9645	0.856	2	118.9645	0.733	2	118.2949	1.308	10	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	Si-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](SiN[6]3HH)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.4727	0.471	4	117.4727	0.222	4	118.2949	1.308	10	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	Si-6:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](SiN[6]Cl3H)(C[6]C[6]H)2	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiN[6]Cl3H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.5790	0.051	2	117.5790	0.003	2	118.2949	1.308	10	118.2339	0.975	31	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	7:3:3:	3:3:1:	3:3:1:	Nb[3x3]-7:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Nb[3x3]Nb[3x3]Cl[3]3ClN)(C[6]C[6]H)2	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	N[6](Nb[3x3]Nb[3x3]Cl[3]3ClN)(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|Nb<7>,3|Cl<2>,1|C<3>,1|N<2>,2|H<1>}	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|Nb<7>,3|Cl<2>,1|C<3>,1|N<2>,2|H<1>}	116.2030	0.000	1	116.2030	0.000	1	116.6817	0.959	6	116.8703	1.048	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	7:3:3:	3:3:1:	3:3:1:	Nb[3x3]-7:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Nb[3x3]Nb[3x3]Cl[3]3N[6]N)(C[6]C[6]H)2	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	N[6](Nb[3x3]Nb[3x3]Cl[3]3N[6]N)(C[6]C[6]H)2{1|Cl<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Nb<7>,3|Cl<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Nb<7>,3|Cl<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	116.7120	1.442	2	116.7120	2.081	2	116.6817	0.959	6	116.8703	1.048	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	7:3:3:	3:3:1:	3:3:1:	Nb[3x3]-7:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Nb[3x3]Nb[3x3]Cl[3]N[3]2Cl2)(C[6]C[6]H)2	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	N[6](Nb[3x3]Nb[3x3]Cl[3]N[3]2Cl2)(C[6]C[6]H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Cl<2>,1|Nb<7>,2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Cl<2>,1|Nb<7>,2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	118.0850	0.000	1	118.0850	0.000	1	116.6817	0.959	6	116.8703	1.048	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	7:3:3:	3:3:1:	3:3:1:	Nb[3x3]-7:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Nb[3x3]Nb[3x3]Cl[3]N[3]2N[6]Cl)(C[6]C[6]H)2	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	N[6](Nb[3x3]Nb[3x3]Cl[3]N[3]2N[6]Cl)(C[6]C[6]H)2{2|Cl<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|Cl<2>,1|Nb<7>,1|C<3>,2|H<1>,3|N<3>}	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|Cl<2>,1|Nb<7>,1|C<3>,2|H<1>,3|N<3>}	116.1890	0.173	2	116.1890	0.030	2	116.6817	0.959	6	116.8703	1.048	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	7:3:3:	3:3:1:	3:3:1:	Nb[3x5]-7:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Nb[3x5]O[5]6)(C[6]C[6]H)2	C[6](N[6]Nb[3x5]C[6])(C[6]C[6]H)(H)	C[6](N[6]Nb[3x5]C[6])(C[6]C[6]H)(H)	N[6](Nb[3x5]O[5]6)(C[6]C[6]H)2{2|H<1>,7|C<3>}	C[6](N[6]Nb[3x5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,6|O<2>}	C[6](N[6]Nb[3x5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,6|O<2>}	118.0020	0.000	1	118.0020	0.000	1	118.0020	0.000	1	116.8703	1.048	7	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP2_SP2_SP2	N[6]	C[6]	C[6]	8:3:3:	3:3:1:	3:3:1:	Nb[3,3,3x6]-8:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6](Nb[3,3,3x6]N[5,6,6]3C[3,3]2C[3]2)(C[6]C[6]H)2	C[6](N[6]Nb[3,3,3x6]C[6])(C[6]C[6]H)(H)	C[6](N[6]Nb[3,3,3x6]C[6])(C[6]C[6]H)(H)	N[6](Nb[3,3,3x6]N[5,6,6]3C[3,3]2C[3]2)(C[6]C[6]H)2{3|C<4>,3|N<3>,4|C<3>,4|H<1>}	C[6](N[6]Nb[3,3,3x6]C[6])(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>,3|N<3>}	C[6](N[6]Nb[3,3,3x6]C[6])(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>,3|N<3>}	116.4750	0.000	1	116.4750	0.000	1	116.4750	0.000	1	116.4750	0.000	1	122.0290	5.020	9910	121.9785	5.012	10388
856	762	762	6:SP3_SP2_SP2	N[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	N[6]-3:C[6]-3:C-4:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.7275	0.770	2	121.7275	0.593	2	121.7275	0.593	2	121.7275	0.593	2	121.7275	0.593	2	118.7455	10.950	18
856	762	762	6:SP3_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[6]H)2(H){1|C<4>}	C[6](N[6]C[6]H)(N[6]C[6])(H){1|C<4>,1|N<2>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(H){1|C<4>,1|N<2>,2|H<1>}	113.6690	0.000	1	113.6690	0.000	1	113.6690	0.000	1	113.6690	0.000	1	118.3727	11.037	16	118.7455	10.950	18
856	762	762	6:SP3_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	124.5530	0.000	1	124.5530	0.000	1	124.5530	0.000	1	124.5530	0.000	1	118.3727	11.037	16	118.7455	10.950	18
856	762	762	6:SP3_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])2(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	N[6](C[6]C[6a]N[6])2(H){1|S<2>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|H<1>,1|N<2>,3|C<3>}	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	118.3727	11.037	16	118.7455	10.950	18
856	762	762	6:SP3_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	121.2370	0.000	1	121.2370	0.000	1	121.2370	0.000	1	121.2370	0.000	1	118.3727	11.037	16	118.7455	10.950	18
856	762	762	6:SP3_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH)	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H){2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH){1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|N<3>}	121.7690	0.000	1	121.7690	0.000	1	121.7690	0.000	1	121.7690	0.000	1	118.3727	11.037	16	118.7455	10.950	18
856	762	762	6:SP3_SP2_SP2	N[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	123.1300	0.000	1	123.1300	0.000	1	123.1300	0.000	1	123.1300	0.000	1	118.3727	11.037	16	118.7455	10.950	18
856	762	762	6:SP3_SP2_SP2	N[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	113.3250	0.000	1	113.3250	0.000	1	113.3250	0.000	1	113.3250	0.000	1	118.3727	11.037	16	118.7455	10.950	18
856	762	762	6:SP3_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	N[6]-3:O[6]-2:C-3:	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H)	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO){1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H){1|C<3>,3|H<1>}	114.3880	0.000	1	114.3880	0.000	1	114.3880	0.000	1	114.3880	0.000	1	118.3727	11.037	16	118.7455	10.950	18
856	762	762	6:SP3_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	116.4430	0.000	1	116.4430	0.000	1	116.4430	0.000	1	116.5845	0.040	2	118.3727	11.037	16	118.7455	10.950	18
856	762	762	6:SP3_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	116.7260	0.000	1	116.7260	0.000	1	116.7260	0.000	1	116.5845	0.040	2	118.3727	11.037	16	118.7455	10.950	18
856	762	762	6:SP3_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:S-2:	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	C[6](C[6]C[6]N)(N[6]C[6]C)(SC)	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3){1|C<4>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(SC){1|H<1>,1|N<3>,2|C<3>}	119.5585	0.499	2	119.5585	0.249	2	119.5585	0.249	2	119.5585	0.249	2	118.3727	11.037	16	118.7455	10.950	18
856	762	762	6:SP3_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	N[6](C[6]C[6]N)2(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	N[6](C[6]C[6]N)2(CH3){1|C<4>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|H<1>,1|N<3>,2|C<3>}	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	118.3727	11.037	16	118.7455	10.950	18
856	762	762	6:SP3_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:S-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:N[6]-3:O-1:	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O){1|H<1>,5|C<3>}	117.2710	0.000	1	117.2710	0.000	1	117.2710	0.000	1	117.2710	0.000	1	118.3727	11.037	16	118.7455	10.950	18
856	762	762	6:SP3_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	N[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	115.4960	0.000	1	115.4960	0.000	1	115.4960	0.000	1	115.4960	0.000	1	118.3727	11.037	16	118.7455	10.950	18
856	762	762	6:SP3_SP2_SP2	N[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6,6]-4:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH)	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H)	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH){2|H<1>,3|C<3>}	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H){1|C<4>,4|C<3>}	117.9540	0.000	1	117.9540	0.000	1	117.9540	0.000	1	117.9540	0.000	1	118.3727	11.037	16	118.7455	10.950	18