727	727	730	0:SP2_SP2_SP2	C[5a]	C[5a]	As	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:O[5a]-2:As-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[5a]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(AsC[5a]2)	C[5a](C[5a]O[5a]As)(C[5a]C[5a]H)(H)	As(C[5a]C[5a]O[5a])3	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(AsC[5a]2){2|H<1>}	C[5a](C[5a]O[5a]As)(C[5a]C[5a]H)(H){1|H<1>}	As(C[5a]C[5a]O[5a])3	130.4820	2.733	3	130.4820	7.472	3	130.4820	7.472	3	130.4820	7.472	3	130.4820	7.472	3	130.4820	7.472	3
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5,5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5,5a]-3:C[6]-3:	C[5,5a]-3:C[5a,6]-3:C[5]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6]C[6]H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a,6]N[5a,6]C[6])(C[5]C[5,6a]O)	C[6](C[5a,6]C[5,5a]N[5a,6])(C[6]C[6,6a]H)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5a,6]N[5a,6]C[6])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[6](C[5a,6]C[5,5a]N[5a,6])(C[6]C[6,6a]H)(H){5|C<3>}	132.9380	0.000	1	132.9380	0.000	1	132.9380	0.000	1	132.9380	0.000	1	132.9380	0.000	1	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,5a]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(N[5a]C[5a])	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|F<1>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(N[5a]C[5a]){1|H<1>,2|F<1>,4|C<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.7950	0.000	1	130.7950	0.000	1	130.8935	0.019	2	130.2210	1.366	3	131.2634	6.789	11	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,5a]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(N[5a]C[5a])	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.9920	0.000	1	130.9920	0.000	1	130.8935	0.019	2	130.2210	1.366	3	131.2634	6.789	11	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	N[5a,5a]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[6]H)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6a])	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6,6a]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[6]H){1|H<1>,2|F<1>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6a]){1|H<1>,2|F<1>,4|C<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6,6a]H)(H){1|B<4>,1|N<2>,1|N<3>,2|C<3>}	128.8760	0.000	1	128.8760	0.000	1	128.8760	0.000	1	130.2210	1.366	3	131.2634	6.789	11	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,5a]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	130.9080	0.000	2	130.9080	0.000	2	130.9080	0.000	2	130.5285	0.102	6	131.2634	6.789	11	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	N[5a,5a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	130.2780	0.000	1	130.3388	0.026	4	130.3388	0.026	4	130.5285	0.102	6	131.2634	6.789	11	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	N[5a,5a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]B[5a])(C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6a]H){1|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	130.3590	0.191	3	130.3388	0.026	4	130.3388	0.026	4	130.5285	0.102	6	131.2634	6.789	11	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,5a]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[5a]N[6])	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a])	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[5a]N[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|F<1>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a]){1|B<4>,1|C<4>,1|H<1>,1|N<3>,5|C<3>}	131.1750	0.000	1	131.1750	0.000	1	131.1750	0.000	1	131.1750	0.000	1	131.2634	6.789	11	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,5a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6,6a]-3:C[5a,5a]-3:C[6]-3:	C[5a,5a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:H-1:	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6]C[6]H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a]C[6a])	C[6](C[5a,6]C[5a,6,6a]C[5a,5a])(C[6]C[6]CH)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6]C[5a,6,6a]C[6])(N[5a]C[5a]C[6a]){1|Pd<4>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6,6a]C[5a,5a])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	138.8880	0.000	1	138.8880	0.000	1	138.8880	0.000	1	138.8880	0.000	1	131.2634	6.789	11	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5a,6,6]-3:N[5a,6]-3:C[6]-3:	C[3x6]-4:C[5a,6,6]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[3x6]C[5a])(C[5a,6]N[5a,6]C[6])	C[6](C[5a,6]C[5a,6,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>,3|C<4>}	C[5a,6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[5a,6,6]C[3x6]C[5a])(C[5a,6]N[5a,6]C[6]){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,2|C<4>,4|C<3>}	132.1125	0.388	2	132.1125	0.151	2	132.1125	0.151	2	132.1125	0.151	2	132.1125	0.151	2	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6,6]-3:C[5a,6]-3:N[6]-2:	C[5a,6]-3:C[6]-2:H-1:	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6])	C[6](C[5a,6]C[5a,6]2)(C[6]C[6])(H)	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|Ge<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6]){1|C<2>,1|H<1>,1|N<2>,2|C<3>,2|I<1>,3|N<3>}	C[6](C[5a,6]C[5a,6]2)(C[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	131.8520	0.000	1	131.8520	0.000	1	131.8520	0.000	1	131.8520	0.000	1	132.1793	3.232	24	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[5a,6,6]-3:C[5a,6]-3:N[6]-2:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6])	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|Ge<6>,1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[5a,6]C[5a,6]C[6])(N[6]C[5a,6]){1|H<1>,1|N<2>,2|I<1>,3|C<3>,3|N<3>}	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|C<3>}	131.2650	0.000	1	131.2650	0.000	1	131.2650	0.000	1	131.2650	0.000	1	132.1793	3.232	24	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6,6a]O){2|C<4>,2|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	132.5485	0.327	2	132.5485	0.107	2	133.3300	1.886	3	133.5532	1.173	5	132.1793	3.232	24	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){2|C<3>,2|C<4>,2|O<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|H<1>,1|O<2>,5|C<3>}	134.8930	0.000	1	134.8930	0.000	1	133.3300	1.886	3	133.5532	1.173	5	132.1793	3.232	24	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	133.8880	0.740	2	133.8880	0.547	2	133.8880	0.547	2	133.5532	1.173	5	132.1793	3.232	24	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6,6a]O){2|C<4>,2|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	133.8240	0.247	2	133.8240	0.061	2	134.1590	0.367	3	134.1590	0.367	3	132.1793	3.232	24	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){2|C<3>,2|C<4>,2|O<1>}	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	134.8290	0.000	1	134.8290	0.000	1	134.1590	0.367	3	134.1590	0.367	3	132.1793	3.232	24	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[5,6]HH)	C[6](C[5a,6]C[5a,6]2)(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a,6]C[5a,6]C[6])(C[6]C[5,6]HH){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[5a,6]C[5a,6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	136.1670	0.000	1	136.1670	0.000	1	136.1670	0.000	1	133.6255	12.918	2	132.1793	3.232	24	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|B<4>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,2|C<4>,4|C<3>}	131.0840	0.000	1	131.0840	0.000	1	131.0840	0.000	1	133.6255	12.918	2	132.1793	3.232	24	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[6]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a,6])2(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|I<1>,1|N<3>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|B<4>,1|C<4>,1|I<1>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a,6])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.5965	0.399	4	131.2147	0.462	11	131.2147	0.462	11	131.2147	0.462	11	132.1793	3.232	24	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[6]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a,6])2(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a,6])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	130.9966	0.733	7	131.2147	0.462	11	131.2147	0.462	11	131.2147	0.462	11	132.1793	3.232	24	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5,6]-4:N[5a,6]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]N[5a,6]C[5,6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]C[5,6]O[5]H)(N[5a,6]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[5a,6](C[5a,6]N[5a,6]C[5,6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5,6]C[5,6]O[5]H)(N[5a,6]C[5a]C[6]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	128.3310	0.000	1	128.3310	0.000	1	128.3310	0.000	1	128.3310	0.000	1	132.1793	3.232	24	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6a]-2:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(O[6a]C[6a])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(O[6a]C[6a]){2|C<3>,2|O<1>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	133.1270	0.000	1	133.1270	0.000	1	133.1270	0.000	1	133.1270	0.000	1	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:O[6]-2:N-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]O[6]N)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(O[6]C[6,6a])(NC[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]O[6]N){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(O[6]C[6,6a])(NC[6]){1|N<2>,4|C<3>}	132.9430	0.000	1	132.9430	0.000	1	132.9430	0.000	1	132.9430	0.000	1	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	139.0050	0.000	1	139.0050	0.000	1	139.0050	0.000	1	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O){1|C<4>,1|N<3>,5|C<3>}	130.0150	0.000	1	130.0150	0.000	1	130.0150	0.000	1	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	133.1730	0.000	1	133.1730	0.000	1	133.1730	0.000	1	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H){1|C<4>,1|N<3>,3|C<3>}	131.8190	0.000	1	131.8190	0.000	1	134.2034	2.709	13	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	134.5550	0.000	1	134.5550	0.000	1	134.2034	2.709	13	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	132.3910	0.389	3	134.3676	2.920	10	134.2034	2.709	13	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Re<6>,1|N<3>,3|C<3>}	136.7710	0.177	2	134.3676	2.920	10	134.2034	2.709	13	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	134.8857	0.413	3	134.3676	2.920	10	134.2034	2.709	13	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	134.9990	0.000	1	134.3676	2.920	10	134.2034	2.709	13	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Re<6>,1|N<3>,3|C<3>}	133.3050	0.000	1	134.3676	2.920	10	134.2034	2.709	13	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	134.5940	0.000	1	134.5940	0.000	1	134.2034	2.709	13	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	127.5610	0.000	1	127.5610	0.000	1	129.6118	1.473	5	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|Br<1>,1|N<3>,3|C<3>}	130.3770	0.000	1	130.0140	0.264	2	129.6118	1.473	5	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|Pd<4>,1|N<3>,3|C<3>}	129.6510	0.000	1	130.0140	0.264	2	129.6118	1.473	5	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	130.6370	0.000	1	130.6370	0.000	1	129.6118	1.473	5	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(O){1|C<4>,1|N<3>,3|C<3>}	129.8330	0.000	1	129.8330	0.000	1	129.6118	1.473	5	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]N)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	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>}	134.1010	0.000	1	134.1010	0.000	1	135.8307	2.295	3	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]Co)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H){1|Co<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]Co)(H){1|H<1>,1|O<2>,3|C<3>}	136.4700	0.000	1	136.4700	0.000	1	135.8307	2.295	3	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]Cu)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H){1|Cu<5>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]Cu)(H){1|H<1>,1|O<2>,3|C<3>}	136.9210	0.000	1	136.9210	0.000	1	135.8307	2.295	3	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]C)(O){1|C<4>,1|N<3>,4|C<3>}	128.4160	0.000	1	128.4160	0.000	1	129.2020	1.236	2	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	129.9880	0.000	1	129.9880	0.000	1	129.2020	1.236	2	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C){1|O<1>,1|O<2>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	133.9300	0.522	2	133.9300	0.272	2	133.9300	0.272	2	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6a,6a]-3:C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a]){1|O<1>,2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	134.2750	0.000	1	134.2750	0.000	1	134.2750	0.000	1	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H){1|B<4>,6|C<3>}	131.0790	0.297	2	131.0790	0.088	2	130.9835	0.552	23	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,3|C<3>,3|F<1>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<4>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	132.2530	0.000	1	132.3590	0.022	2	130.9835	0.552	23	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){2|N<3>,3|C<3>,3|F<1>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F){1|B<4>,1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	132.4650	0.000	1	132.3590	0.022	2	130.9835	0.552	23	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	130.9526	0.464	5	130.8777	0.183	7	130.9835	0.552	23	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|H<1>,5|C<3>}	130.6905	0.373	2	130.8777	0.183	7	130.9835	0.552	23	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H){1|B<4>,6|C<3>}	130.7020	0.617	2	130.8000	0.605	12	130.9835	0.552	23	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H){1|B<4>,6|C<3>}	130.8196	0.833	10	130.8000	0.605	12	130.9835	0.552	23	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	132.7890	0.853	2	132.8173	0.366	3	132.8173	0.366	3	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	132.8740	0.000	1	132.8173	0.366	3	132.8173	0.366	3	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	136.7290	0.000	1	136.7290	0.000	1	136.7290	0.000	1	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]B[6a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|B<3>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]B[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	128.7760	0.000	1	128.7760	0.000	1	129.0890	0.196	2	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	129.4020	0.000	1	129.4020	0.000	1	129.0890	0.196	2	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	142.5130	0.000	1	141.5333	0.566	13	141.5333	0.566	13	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	142.7200	0.000	1	141.5333	0.566	13	141.5333	0.566	13	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	141.9990	0.000	1	141.5333	0.566	13	141.5333	0.566	13	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	141.2701	0.625	10	141.5333	0.566	13	141.5333	0.566	13	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	135.2880	0.000	1	135.5267	0.046	3	135.5267	0.046	3	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	135.6460	0.085	2	135.5267	0.046	3	135.5267	0.046	3	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	135.9500	0.000	1	135.9500	0.000	1	135.9500	0.000	1	134.0183	17.254	75	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:O-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]H)(OC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]H)(OC){1|C<4>,1|N<3>,3|C<3>}	134.5070	0.000	1	134.5070	0.000	1	134.5070	0.000	1	132.1880	4.668	11	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN){1|N<3>,4|C<3>}	131.9840	0.000	1	132.0218	0.450	6	132.0218	0.450	6	132.1880	4.668	11	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN){1|N<3>,4|C<3>}	133.1560	0.000	1	132.0218	0.450	6	132.0218	0.450	6	132.1880	4.668	11	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN){1|N<3>,4|C<3>}	131.7477	0.470	4	132.0218	0.450	6	132.0218	0.450	6	132.1880	4.668	11	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]N)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(NO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]N){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(NO){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	137.2190	0.000	1	137.2190	0.000	1	137.2190	0.000	1	132.1880	4.668	11	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-3:C-2:	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[5,6]C)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(CN)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[5,6]C){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(CN){1|B<4>,5|C<3>}	129.7870	0.000	1	129.7870	0.000	1	129.7870	0.000	1	132.1880	4.668	11	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-3:C-2:	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[6,6]C)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(CN)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[6,6]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,5|C<3>}	130.2120	0.021	2	130.2120	0.000	2	130.2120	0.000	2	132.1880	4.668	11	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a,6a]-3:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(CCH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){1|C<4>,1|H<1>,7|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(CCH){1|H<1>,1|N<3>,3|C<3>}	135.8865	0.289	2	135.8865	0.084	2	135.8865	0.084	2	134.0162	2.899	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]N)(COO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]N)(COO){1|N<3>,3|C<3>}	135.9530	0.018	2	135.9530	0.000	2	136.1260	0.090	3	134.0162	2.899	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)(COO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)(COO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	136.4720	0.000	1	136.4720	0.000	1	136.1260	0.090	3	134.0162	2.899	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	133.9190	0.000	1	133.9190	0.000	1	133.9190	0.000	1	134.0162	2.899	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	132.8150	0.000	1	132.7000	0.026	2	132.7060	0.081	4	134.0162	2.899	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	132.5850	0.000	1	132.7000	0.026	2	132.7060	0.081	4	134.0162	2.899	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	132.7120	0.465	2	132.7120	0.216	2	132.7060	0.081	4	134.0162	2.899	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2){1|B<4>,1|H<1>,7|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	133.9680	0.000	1	133.9680	0.000	1	131.8088	1.481	5	134.0162	2.899	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])2(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|H<1>,1|N<3>,2|F<1>,6|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])2(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	131.2690	0.179	4	131.2690	0.032	4	131.8088	1.481	5	134.0162	2.899	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6]-3:N[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]N[5a,6])2(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(C[5a,6]N[5a,6]C[6]){1|B<4>,1|H<1>,7|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])2(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	133.7405	0.981	2	133.7405	0.962	2	133.7405	0.962	2	134.0162	2.899	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]S[6])(C[6]C[6,6a]C[5a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]S[6])(C[6]C[6,6a]C[5a]){1|H<1>,2|O<1>,7|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,5|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2){1|S<2>,1|S<4>,3|H<1>,6|C<3>}	131.9130	0.000	1	131.9130	0.000	1	131.9130	0.000	1	134.0162	2.899	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a])	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]C[6a]){1|H<1>,1|O<2>,2|N<3>,6|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a,6a])2(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	135.3593	0.202	6	135.3593	0.041	6	135.3593	0.041	6	134.0162	2.899	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a])	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	134.0340	0.208	2	134.0340	0.043	2	134.3163	0.261	3	134.0162	2.899	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a])	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6a]){1|H<1>,8|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	134.8810	0.000	1	134.8810	0.000	1	134.3163	0.261	3	134.0162	2.899	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]H)(CH3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]H)(CH3){1|N<3>,4|C<3>}	133.2210	0.000	1	133.2210	0.000	1	131.5833	3.071	3	132.6452	8.126	6	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|S<1>,1|S<2>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3){1|N<3>,3|C<3>}	129.7350	0.000	1	129.7350	0.000	1	131.5833	3.071	3	132.6452	8.126	6	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	131.7940	0.000	1	131.7940	0.000	1	131.5833	3.071	3	132.6452	8.126	6	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:P-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]P)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]P){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3){1|O<1>,1|O<2>,3|C<3>}	137.9530	0.000	1	137.9530	0.000	1	137.9530	0.000	1	132.6452	8.126	6	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3){1|B<4>,1|C<4>,5|C<3>}	131.5840	0.823	2	131.5840	0.677	2	131.5840	0.677	2	132.6452	8.126	6	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5,5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	132.8045	0.923	4	132.8045	0.852	4	132.8045	0.852	4	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[3x6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(O){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	134.1150	0.000	1	134.1150	0.000	1	134.1150	0.000	1	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-4:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2N[6])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2N[6])(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	130.3830	0.000	1	130.3830	0.000	1	130.3830	0.000	1	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O){1|N<3>,2|C<3>,2|C<4>}	134.9610	0.000	1	134.9610	0.000	1	134.6425	0.203	2	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O){1|N<3>,2|C<3>,2|C<4>}	134.3240	0.000	1	134.3240	0.000	1	134.6425	0.203	2	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]O){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	129.0520	0.000	1	129.0520	0.000	1	129.9545	1.629	2	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(O){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	130.8570	0.000	1	130.8570	0.000	1	129.9545	1.629	2	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O){2|C<3>,2|H<1>,2|S<2>,3|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	129.3890	0.000	1	129.3890	0.000	1	131.2802	1.079	16	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	130.9330	0.000	1	130.9330	0.000	1	131.2802	1.079	16	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	131.1890	0.445	2	130.7620	0.854	7	131.2802	1.079	16	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	130.2950	0.000	1	130.7620	0.854	7	131.2802	1.079	16	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	131.8650	0.000	1	130.7620	0.854	7	131.2802	1.079	16	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	129.0100	0.000	1	130.7620	0.854	7	131.2802	1.079	16	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	130.9960	0.000	1	130.7620	0.854	7	131.2802	1.079	16	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	130.7900	0.000	1	130.7620	0.854	7	131.2802	1.079	16	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	131.9180	0.000	1	132.2880	0.274	2	131.2802	1.079	16	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	132.6580	0.000	1	132.2880	0.274	2	131.2802	1.079	16	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	131.7140	0.000	1	132.0504	0.054	5	131.2802	1.079	16	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	132.1345	0.156	4	132.0504	0.054	5	131.2802	1.079	16	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]S)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	132.8360	0.000	1	132.8360	0.000	1	132.8360	0.000	1	131.7863	2.321	27	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(NO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,5|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(NO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	132.1480	0.000	1	132.1480	0.000	1	132.1480	0.000	1	132.1480	0.000	1	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	131.5380	0.000	1	131.5380	0.000	1	132.7750	0.806	4	132.7750	0.806	4	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CC)(CP[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CC)(CP[6]H){1|N<3>,3|C<3>}	132.6890	0.000	1	132.6890	0.000	1	132.7750	0.806	4	132.7750	0.806	4	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H){1|N<3>,3|C<3>}	133.4930	0.000	1	133.4930	0.000	1	132.7750	0.806	4	132.7750	0.806	4	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]C)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHS)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHS){2|C<3>,2|H<1>,2|N<3>}	133.3800	0.000	1	133.3800	0.000	1	132.7750	0.806	4	132.7750	0.806	4	133.3810	10.752	153	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6,6]	3:3:3:	3:2:1:	3:3:3:	C[6,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6,6]-3:C[6]-3:	C[5a,6](C[6,6]C[6,6]C[6])(N[5a,6]C[5a]C[6])(C[5a]N[5a]H)	C[5a](C[5a,6]N[5a,6]C[6,6])(N[5a]C[5a])(H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O)	C[5a,6](C[6,6]C[6,6]C[6])(N[5a,6]C[5a]C[6])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6,6])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	138.8290	0.000	1	138.8290	0.000	1	138.8290	0.000	1	138.8290	0.000	1	134.3843	6.729	6	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6,6]-3:C[5a,6]-3:N[6]-3:	C[5a,6](C[6,6]C[5a,6,6]N[6])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6,6])(C[5a]C[5a]H)(H)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)	C[5a,6](C[6,6]C[5a,6,6]N[6])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6,6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H){1|B<4>,1|H<1>,6|C<3>}	133.1380	0.000	1	133.1380	0.000	1	133.1380	0.000	1	133.1380	0.000	1	134.3843	6.729	6	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[5a,6,6a]-3:C[6,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[6,6]-4:C[6,6]-3:	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]2)(C[5a]N[5a]H)	C[5a](C[5a,6]C[5a,6,6a]C[6,6])(N[5a]C[5a,6a]H)(H)	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6])	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]2)(C[5a]N[5a]H){2|C<3>,2|H<1>,4|C<4>}	C[5a](C[5a,6]C[5a,6,6a]C[6,6])(N[5a]C[5a,6a]H)(H){1|C<4>,3|C<3>}	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>,7|C<4>}	136.2300	0.000	1	136.2300	0.000	1	136.2300	0.000	1	136.2300	0.000	1	134.3843	6.729	6	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	N[5a,6]-3:C[6,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]C[6])(C[5a]C[5a,6a]C){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6,6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	132.7030	0.473	3	132.7030	0.224	3	132.7030	0.224	3	132.7030	0.224	3	134.3843	6.729	6	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[5a,6,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]O[6]O)	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]O[6]O){1|C<3>,3|C<4>}	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	134.4110	0.000	1	134.4375	0.001	2	134.4375	0.001	2	135.0140	0.998	3	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[5a,6,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]O[6]O)	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]O[6]O){2|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	134.4640	0.000	1	134.4375	0.001	2	134.4375	0.001	2	135.0140	0.998	3	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-2:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H){1|C<2>,1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	136.1670	0.000	1	136.1670	0.000	1	136.1670	0.000	1	135.0140	0.998	3	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[5a,6,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	137.6080	0.000	1	137.6080	0.000	1	137.6080	0.000	1	137.2157	14.539	6	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(S)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S){1|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|S<1>}	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>}	135.6780	0.000	1	135.6780	0.000	1	135.8075	0.034	2	137.2157	14.539	6	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(S)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|S<1>}	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>}	135.9370	0.000	1	135.9370	0.000	1	135.8075	0.034	2	137.2157	14.539	6	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	132.5460	0.000	1	132.5460	0.000	1	132.5460	0.000	1	137.2157	14.539	6	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(H){1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	144.0470	0.000	1	144.0470	0.000	1	144.0470	0.000	1	137.2157	14.539	6	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	137.4780	0.000	1	137.4780	0.000	1	137.4780	0.000	1	137.2157	14.539	6	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(C[5a]N[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[6a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	135.8690	0.000	1	135.8690	0.000	1	135.8690	0.000	1	135.8690	0.000	1	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:1:	3:4:1:	C[5a,6,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:C[3,6]-4:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[3,6]O)	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[3,6]C[3,6]O[3]H)(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[3,6]C[3,6]O[3]H)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	132.4310	0.000	1	132.4310	0.000	1	132.4310	0.000	1	130.1038	1.712	5	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:1:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	129.5220	0.163	4	129.5220	0.027	4	129.5220	0.027	4	130.1038	1.712	5	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:S-2:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]S)(C[6]O[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(SC)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]S)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(SC){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<4>}	131.3780	0.849	3	131.3780	0.720	3	131.3780	0.720	3	131.3780	0.720	3	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:O-2:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]O[5a])(OC)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]O[5a])(OC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>,3|O<2>}	134.3380	0.000	1	134.4525	0.026	2	134.4525	0.026	2	134.4525	0.026	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:O-2:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]O[5a])(OC)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]O[5a])(OC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|N<2>,3|C<4>,3|O<2>}	134.5670	0.000	1	134.4525	0.026	2	134.4525	0.026	2	134.4525	0.026	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:2:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:S-2:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]S)(C[6]N[6]N)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(SC)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6a]C[6])(NH)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]S)(C[6]N[6]N){3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(SC){1|C<3>,1|N<3>,2|N<2>}	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>}	134.4400	0.479	2	134.4400	0.230	2	134.4400	0.230	2	134.4400	0.230	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(C[6]C[6]H){1|H<1>,5|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]C[5a,5a])(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	144.5440	0.000	1	144.5440	0.000	1	144.5440	0.000	1	138.2145	80.125	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]S[5a]C[6])(C[5a]N[5a]N)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]S[5a])(NC[5]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]S[5a]C[6])(C[5a]N[5a]N)(C[6]C[6]H){1|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]S[5a])(NC[5]H){1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	131.8850	0.000	1	131.8850	0.000	1	131.8850	0.000	1	138.2145	80.125	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:4:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	133.2060	0.000	1	133.2060	0.000	1	133.2060	0.000	1	131.3515	6.878	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:4:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]O[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]O[5a]C){2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	129.4970	0.000	1	129.4970	0.000	1	129.4970	0.000	1	131.3515	6.878	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[5,6]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(O)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[5,6]O){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(O){1|C<3>,1|N<2>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	135.4780	0.000	1	135.4780	0.000	1	135.4780	0.000	1	131.0834	5.713	7	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,4|C<4>}	132.2685	0.402	2	132.2685	0.162	2	132.2685	0.162	2	131.0834	5.713	7	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a,6]-3:C[6,6]-4:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6,6]O)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6,6]O){1|C<4>,2|O<2>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(O){2|C<3>,2|C<4>,3|O<2>}	129.3922	0.431	4	129.3922	0.186	4	129.3922	0.186	4	131.0834	5.713	7	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:2:4:	3:4:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a,6]-3:C[6]-4:C[5]-3:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5]C[6])(C[5a]O[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5]C[6])(C[5a]O[5a]C){2|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	131.1470	0.000	1	131.1470	0.000	1	131.1470	0.000	1	131.1470	0.000	1	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-2:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|H<1>,2|C<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	135.8190	0.000	1	135.8190	0.000	1	135.9845	0.055	2	133.7098	13.535	9	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-2:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H){1|C<3>,2|H<1>,2|N<3>}	136.1500	0.000	1	136.1500	0.000	1	135.9845	0.055	2	133.7098	13.535	9	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-2:Cl-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]Cl)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(Cl)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]Cl){1|Ru<9>,1|Si<4>,1|C<3>,1|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|Cl<1>,1|Si<4>,1|N<2>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(Cl){1|C<3>,2|H<1>,2|N<3>}	141.2940	0.000	1	141.2940	0.000	1	141.2940	0.000	1	133.7098	13.535	9	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:2:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-2:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6]H){1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<2>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H){1|B<4>,1|H<1>,3|C<3>}	132.0720	0.000	1	132.0720	0.000	1	132.6413	1.633	4	133.7098	13.535	9	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:2:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-2:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6])(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6])(H){1|C<4>,2|H<1>,3|C<3>}	134.5200	0.000	1	134.5200	0.000	1	132.6413	1.633	4	133.7098	13.535	9	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:2:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-2:H-1:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a])(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]H){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a])(H){1|H<1>,4|C<3>}	131.9865	0.435	2	131.9865	0.189	2	132.6413	1.633	4	133.7098	13.535	9	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:2:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O){3|C<3>,3|H<1>}	129.8240	0.000	1	129.8240	0.000	1	129.8240	0.000	1	133.7098	13.535	9	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:2:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]O[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O){1|C<4>,2|C<3>,3|H<1>}	129.7360	0.000	1	129.7360	0.000	1	129.7360	0.000	1	133.7098	13.535	9	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]N){1|Cu<5>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	136.4080	0.000	1	136.4080	0.000	1	136.4080	0.000	1	136.4080	0.000	1	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5,6]-3:H-1:	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5a]C[5a]H)(C[6]C[5,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6,6]N[5])(H)	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5a]C[5a]H)(C[6]C[5,6]H){1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6,6]N[5])(H){1|C<3>,1|S<2>,1|S<4>,2|H<1>,3|C<4>}	126.6600	0.000	1	126.6600	0.000	1	126.6600	0.000	1	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	135.4890	0.233	2	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Cu<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	136.1580	0.561	2	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Cu<5>,1|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	136.5990	0.000	1	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Fe<4>,1|Li<4>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|Fe<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	136.5840	0.000	1	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Fe<4>,2|Li<4>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|Fe<4>,1|Li<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	136.6830	0.000	1	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ir<6>,1|B<4>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	138.8060	0.512	2	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ir<7>,1|B<4>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	136.2770	0.484	2	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Li<4>,1|B<4>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	136.4877	0.126	6	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	138.1432	0.334	5	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	136.4990	0.000	1	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|Si<4>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	135.2852	0.346	6	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	134.8445	0.015	2	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	135.6446	0.581	16	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,1|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	136.4210	0.000	1	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	135.8211	0.401	7	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<5>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	136.7865	0.356	2	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<6>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	134.4690	0.643	2	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<4>,1|C<3>,1|P<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	138.6437	0.394	3	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<5>,1|B<4>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|Rh<5>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	136.4620	0.000	1	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<5>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	136.4440	0.143	2	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<6>,1|B<5>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|Rh<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	138.2540	0.000	1	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<7>,1|B<4>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	136.1290	0.296	9	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<8>,1|B<5>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<5>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	136.9162	0.651	4	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|B<5>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<5>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	137.3513	0.887	10	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	129.0920	0.000	1	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|Si<4>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	138.0090	0.364	4	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<8>,1|B<4>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	136.3275	0.494	2	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<8>,1|B<5>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<5>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	136.7165	0.459	2	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<9>,1|B<5>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|B<5>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	137.3905	0.193	2	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<9>,1|Si<4>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	138.3130	0.000	1	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	135.5023	0.693	4	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){2|Cu<4>,1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	136.7807	0.300	3	136.4203	1.713	108	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]N[6])(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	136.4815	0.124	4	136.4815	0.015	4	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Br)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Br<1>,1|H<1>,1|N<3>,1|S<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Br)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	130.2970	0.000	1	130.2970	0.000	1	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|N<3>,1|S<1>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	130.2980	0.000	1	130.2980	0.000	1	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]I)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,1|I<1>,1|N<3>,1|S<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]I)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	130.5050	0.000	1	130.5050	0.000	1	136.2645	2.548	115	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Br)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|O<1>,1|S<2>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Br)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	126.7575	0.479	2	126.7575	0.229	2	127.7020	9.212	15	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	126.6375	0.165	2	126.6375	0.027	2	127.7020	9.212	15	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Cl)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|O<1>,1|S<2>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Cl)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	126.3440	0.107	2	126.3440	0.012	2	127.7020	9.212	15	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]F)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|F<1>,1|O<1>,1|S<2>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]F)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	125.6605	0.117	2	125.6605	0.014	2	127.7020	9.212	15	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]I)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|I<1>,1|O<1>,1|S<2>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]I)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	126.3735	4.716	2	126.3735	22.238	2	127.7020	9.212	15	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Si)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|Si<4>,1|C<3>,1|O<1>,1|S<2>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]Si)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	127.2235	0.077	2	127.2235	0.006	2	127.7020	9.212	15	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	129.2380	0.000	1	129.2380	0.000	1	127.7020	9.212	15	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O){1|N<2>,2|C<3>,2|H<1>}	134.8140	0.000	1	134.8140	0.000	1	127.7020	9.212	15	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	133.4850	0.000	1	133.4850	0.000	1	127.7020	9.212	15	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	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>}	130.6940	0.000	1	130.6940	0.000	1	127.7362	8.044	4	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|H<1>,3|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O){1|N<3>,2|C<3>,3|H<1>}	129.6030	0.000	1	129.6030	0.000	1	127.7362	8.044	4	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])(H){1|N<3>,1|O<1>,3|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>}	124.9620	0.000	1	125.3240	0.262	2	127.7362	8.044	4	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]S[5a])(H){1|N<3>,1|O<1>,3|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>}	125.6860	0.000	1	125.3240	0.262	2	127.7362	8.044	4	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]O){1|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(H){1|O<1>,2|N<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>}	135.4270	0.000	1	135.4270	0.000	1	135.4270	0.000	1	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O){1|H<1>,1|S<2>,4|C<3>}	124.0640	0.000	1	124.0640	0.000	1	124.8700	1.299	2	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]I)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|I<1>,1|O<1>,1|S<2>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]I)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O){1|H<1>,1|S<2>,4|C<3>}	125.6760	0.000	1	125.6760	0.000	1	124.8700	1.299	2	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|Ni<4>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|Ni<4>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|H<1>,4|C<3>}	131.5575	0.336	2	131.5575	0.113	2	132.6823	1.047	9	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	133.2252	0.768	6	133.2252	0.589	6	132.6823	1.047	9	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	131.6750	0.000	1	131.6750	0.000	1	132.6823	1.047	9	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(H){1|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	141.8155	0.216	2	141.8155	0.047	2	141.8155	0.047	2	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]Se[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]Se[5a,5a]C[6a])(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]Se[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(N[5a]Se[5a,5a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|Se<3>,1|C<3>,1|N<3>,2|H<1>}	127.5480	0.000	1	127.5480	0.000	1	127.5480	0.000	1	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<5>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,2|H<1>,4|C<3>}	125.4155	0.326	2	125.4155	0.106	2	125.4155	0.106	2	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,5a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]H)	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	129.3850	0.208	2	129.3850	0.043	2	129.3850	0.043	2	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5,5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5,5a]B[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5,5a]C[5,5a]2)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5,5a]B[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5,5a]C[5,5a]2)(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	130.1830	0.000	1	130.1830	0.000	1	130.1830	0.000	1	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a,6]H)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H)	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a,6]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	133.3380	0.000	1	133.3380	0.000	1	133.3380	0.000	1	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:C[5,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(Br)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(Br){1|B<4>,1|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|Br<1>,1|B<4>,1|C<4>,2|H<1>,3|C<3>}	131.6210	0.000	1	131.4815	0.039	2	131.4815	0.039	2	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:C[5,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(Br)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(Br){1|B<4>,1|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|Br<1>,1|B<4>,1|C<4>,2|H<1>,3|C<3>}	131.3420	0.000	1	131.4815	0.039	2	131.4815	0.039	2	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H){1|Br<1>,1|B<4>,2|F<1>,2|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br){1|B<4>,1|H<1>,2|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|Br<1>,1|B<4>,1|N<3>,2|F<1>,3|C<3>}	131.1630	0.000	1	130.7915	0.276	2	130.7915	0.276	2	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H){2|Br<1>,1|B<4>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br){1|Br<1>,1|B<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|Br<1>,1|B<4>,1|N<3>,2|F<1>,3|C<3>}	130.4200	0.000	1	130.7915	0.276	2	130.7915	0.276	2	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]H){2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,5|C<3>}	134.9790	0.000	1	134.9790	0.000	1	134.9790	0.000	1	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	134.1185	0.504	2	134.1185	0.254	2	134.2890	0.214	3	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){3|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	134.6300	0.000	1	134.6300	0.000	1	134.2890	0.214	3	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[5,6]-3:O-1:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	130.0530	0.000	2	129.8440	0.131	3	129.6875	0.707	6	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[5,6]-3:O-1:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	129.4260	0.000	1	129.8440	0.131	3	129.6875	0.707	6	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[5,6]-3:O-1:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	128.8090	0.027	2	128.8090	0.001	2	129.6875	0.707	6	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[5,6]-3:O-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[5,6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|H<1>,1|N<2>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	130.9750	0.000	1	130.9750	0.000	1	129.6875	0.707	6	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	128.7880	0.116	2	129.8000	0.916	5	129.8000	0.916	5	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,5|C<3>}	130.5785	0.414	2	129.8000	0.916	5	129.8000	0.916	5	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	130.2670	0.000	1	129.8000	0.916	5	129.8000	0.916	5	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){2|Br<1>,2|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	131.0460	0.000	1	131.0460	0.000	1	131.5746	0.424	18	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){1|Br<1>,2|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	131.4350	0.409	3	131.4350	0.167	3	131.5746	0.424	18	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	131.6543	0.231	3	131.6543	0.053	3	131.5746	0.424	18	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|Br<1>,2|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	131.5913	0.089	3	131.5428	0.106	6	131.5746	0.424	18	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){3|C<3>,3|H<1>}	131.0120	0.000	1	131.5428	0.106	6	131.5746	0.424	18	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){2|C<4>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	131.7355	0.388	2	131.5428	0.106	6	131.5746	0.424	18	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	131.0803	0.565	3	131.0803	0.319	3	131.5746	0.424	18	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	131.8500	0.000	1	131.8500	0.000	1	131.5746	0.424	18	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](N[5a,6]N[6,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6]H)(O)	C[5a,6](N[5a,6]N[6,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|O<1>,2|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	133.6800	0.000	1	133.6800	0.000	1	131.5746	0.424	18	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|Re<6>,2|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6])(H){1|Re<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	135.0315	0.286	2	135.0315	0.082	2	135.1914	6.591	16	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|Ir<6>,1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	135.5280	0.816	6	135.4406	0.608	7	135.1914	6.591	16	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	134.9160	0.000	1	135.4406	0.608	7	135.1914	6.591	16	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]N[5])(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]N[5])(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	132.4840	0.000	1	132.4840	0.000	1	135.1914	6.591	16	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C[6a])(H){1|Pd<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	132.7387	0.603	4	132.7387	0.363	4	135.1914	6.591	16	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	141.2980	0.000	1	140.7385	0.626	2	135.1914	6.591	16	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(H){1|Rh<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	140.1790	0.000	1	140.7385	0.626	2	135.1914	6.591	16	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:Br-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]N[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Br)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]N[6]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Br){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	130.4520	0.000	1	130.4520	0.000	1	130.4520	0.000	1	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6])(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	134.5260	0.000	1	134.5260	0.000	1	134.2177	0.071	3	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]C)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	134.0635	0.005	2	134.0635	0.000	2	134.2177	0.071	3	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]O){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(O){1|H<1>,4|C<3>}	129.1540	1.126	2	129.1540	1.267	2	129.2364	0.360	5	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	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>}	129.1335	0.015	2	129.2913	0.075	3	129.2364	0.360	5	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	129.6070	0.000	1	129.2913	0.075	3	129.2364	0.360	5	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:C[5a,6]-3:Cl-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br){1|Br<1>,1|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br){1|Br<1>,1|Cl<1>,1|B<4>,1|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){2|Br<1>,1|B<4>,4|C<3>}	132.8680	0.238	2	133.1610	0.224	4	133.1610	0.224	4	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:C[5a,6]-3:Cl-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br){2|Cl<1>,1|B<4>,1|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){2|Br<1>,1|B<4>,4|C<3>}	133.4540	0.520	2	133.1610	0.224	4	133.1610	0.224	4	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:Cl-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){1|B<4>,2|H<1>,4|C<3>}	131.2660	0.000	1	131.3268	0.041	6	131.8366	0.362	12	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:Cl-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){2|Cl<1>,1|B<4>,1|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){1|B<4>,2|H<1>,4|C<3>}	131.3390	0.224	5	131.3268	0.041	6	131.8366	0.362	12	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:Cl-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){1|B<4>,2|H<1>,4|C<3>}	132.3463	0.362	6	132.3463	0.131	6	131.8366	0.362	12	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|Br<1>,1|Pd<4>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Pd<4>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	131.0760	0.000	1	131.0760	0.000	1	130.7758	1.305	19	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	131.5440	0.000	1	131.5440	0.000	1	130.7758	1.305	19	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|H<1>,5|C<3>}	131.5750	0.000	1	132.5165	1.773	2	130.7758	1.305	19	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|H<1>,5|C<3>}	133.4580	0.000	1	132.5165	1.773	2	130.7758	1.305	19	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<2>,1|C<3>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	130.9315	0.129	2	130.4728	1.046	14	130.7758	1.305	19	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	129.7114	1.455	5	130.4728	1.046	14	130.7758	1.305	19	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	130.7160	0.216	4	130.4728	1.046	14	130.7758	1.305	19	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	131.2350	0.311	2	130.4728	1.046	14	130.7758	1.305	19	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	130.8650	0.000	1	130.4728	1.046	14	130.7758	1.305	19	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(H){1|B<4>,1|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	130.4690	0.000	1	130.4690	0.000	1	130.7758	1.305	19	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(O){1|C<4>,2|H<1>,4|C<3>}	132.0018	0.251	4	132.0018	0.063	4	132.0018	0.063	4	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){2|C<3>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	132.1460	0.000	1	132.1460	0.000	1	132.1460	0.000	1	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O-1:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]N[5a]O)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]N[5a]O){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	129.0680	0.000	1	129.0680	0.000	1	129.0680	0.000	1	133.4981	12.675	259	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:C[5a,6]-3:O-2:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br){1|B<4>,1|C<3>,2|O<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){2|Br<1>,1|B<4>,4|C<3>}	135.9290	4.817	2	134.0378	12.709	4	134.0378	12.709	4	131.8869	2.965	64	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:C[5a,6]-3:O-2:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(Br){1|Cl<1>,1|B<4>,1|C<3>,1|O<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){2|Br<1>,1|B<4>,4|C<3>}	132.1465	0.787	2	134.0378	12.709	4	134.0378	12.709	4	131.8869	2.965	64	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]N)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]N){2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN){1|H<1>,4|C<3>}	132.0640	0.000	1	132.0640	0.000	1	132.0640	0.000	1	131.8869	2.965	64	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-2:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<2>,1|C<3>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CC){1|B<4>,2|H<1>,4|C<3>}	131.3068	0.354	27	131.3068	0.125	27	131.3068	0.125	27	131.8869	2.965	64	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:O-2:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(OC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|Cl<1>,1|B<4>,1|C<3>,1|O<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC){1|B<4>,2|H<1>,4|C<3>}	131.3800	3.619	2	131.3800	13.097	2	132.1490	4.808	24	131.8869	2.965	64	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:O-2:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|Cl<1>,1|B<4>,1|C<3>,1|O<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){1|B<4>,2|H<1>,4|C<3>}	130.8890	3.087	2	130.8890	9.531	2	132.1490	4.808	24	131.8869	2.965	64	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:O-2:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(OC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC){1|B<4>,2|H<1>,4|C<3>}	132.4705	2.839	4	132.4705	8.057	4	132.1490	4.808	24	131.8869	2.965	64	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:O-2:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){1|B<4>,2|H<1>,4|C<3>}	132.3222	1.976	16	132.3222	3.903	16	132.1490	4.808	24	131.8869	2.965	64	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:S-2:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]2)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(SC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]2)(H){1|B<4>,1|C<4>,1|S<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(SC){1|B<4>,2|H<1>,4|C<3>}	130.8270	0.000	1	130.8270	0.000	1	131.9607	0.789	8	131.8869	2.965	64	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:S-2:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(SC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|S<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(SC){1|B<4>,2|H<1>,4|C<3>}	132.8920	0.000	1	132.8920	0.000	1	131.9607	0.789	8	131.8869	2.965	64	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:S-2:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,2|S<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a]){1|B<4>,2|H<1>,4|C<3>}	131.8997	0.299	3	131.9945	0.673	6	131.9607	0.789	8	131.8869	2.965	64	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:S-2:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|S<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a]){1|B<4>,2|H<1>,4|C<3>}	132.0893	1.251	3	131.9945	0.673	6	131.9607	0.789	8	131.8869	2.965	64	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C)(COO)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	129.9810	0.000	1	129.9810	0.000	1	132.4230	11.927	2	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]C)(CCO)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]C)(CCO){1|H<1>,1|N<3>,2|C<3>}	134.8650	0.000	1	134.8650	0.000	1	132.4230	11.927	2	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:N[6]-3:C-3:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(COO)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]C){1|C<3>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(H){1|H<1>,1|N<3>,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>}	134.4920	0.000	1	134.4920	0.000	1	134.4920	0.000	1	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]S[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])2(C[6]C[5a,6]2)	C[5a,6](C[5a,6]S[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|B<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])2(C[6]C[5a,6]2){1|B<3>,2|H<1>,2|S<2>,6|C<3>}	126.3140	0.894	2	126.3140	0.799	2	126.3140	0.799	2	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	128.8060	0.000	1	128.8060	0.000	1	133.2973	15.187	3	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|Zn<5>,1|O<2>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|Zn<5>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	135.5430	0.339	2	135.5430	0.115	2	133.2973	15.187	3	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[6]-3:	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6a]N[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6a]N[6])(C[5a]C[5a]H){1|Ir<6>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(H){1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|O<2>,3|H<1>,4|C<3>}	136.8903	0.773	3	136.8903	0.597	3	134.7422	9.135	5	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6a]-3:N[6]-3:	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6a]N[6])(C[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6a]N[6])(C[5a]C[5a]H){1|Ir<6>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|S<2>,3|H<1>,4|C<3>}	131.5200	0.858	2	131.5200	0.737	2	134.7422	9.135	5	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br){1|B<4>,1|S<2>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Br<1>,1|B<4>,2|H<1>,6|C<3>}	132.0300	0.238	2	132.1553	0.347	10	132.1553	0.347	10	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Br<1>,1|B<4>,2|H<1>,6|C<3>}	131.6740	0.000	1	132.1553	0.347	10	132.1553	0.347	10	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){1|Br<1>,2|F<1>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br){1|B<4>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Br<1>,1|B<4>,2|H<1>,6|C<3>}	132.3000	0.000	1	132.1553	0.347	10	132.1553	0.347	10	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br){1|Br<1>,1|B<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Br<1>,1|B<4>,3|H<1>,6|C<3>}	133.2040	0.000	1	132.1553	0.347	10	132.1553	0.347	10	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:Br-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]Br){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(Br){1|Br<1>,1|B<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Br<1>,1|B<4>,2|H<1>,6|C<3>}	132.0630	0.640	5	132.1553	0.347	10	132.1553	0.347	10	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C){1|B<4>,1|C<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<1>,2|H<1>,6|C<3>}	131.7490	0.731	2	131.7490	0.535	2	131.0975	0.893	4	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(C)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<1>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(C){1|B<4>,1|C<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<1>,2|H<1>,6|C<3>}	130.4460	0.669	2	130.4460	0.447	2	131.0975	0.893	4	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Br<1>,1|B<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|Br<1>,1|B<4>,1|S<2>,3|H<1>,5|C<3>}	130.1085	0.572	2	130.1085	0.327	2	131.2806	1.211	24	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6a]C[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6a]C[5a]){1|B<4>,1|S<2>,3|H<1>,6|C<3>}	131.6335	0.173	2	131.6335	0.030	2	131.2806	1.211	24	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,2|H<1>,7|C<3>}	130.9535	0.151	2	131.6045	0.521	8	131.2806	1.211	24	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,4|H<1>,5|C<3>}	131.7005	1.057	2	131.6045	0.521	8	131.2806	1.211	24	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|O<2>,4|H<1>,5|C<3>}	132.2335	0.412	2	131.6045	0.521	8	131.2806	1.211	24	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|S<2>,4|H<1>,5|C<3>}	131.5305	0.818	2	131.6045	0.521	8	131.2806	1.211	24	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a]){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	131.5850	0.983	2	131.8607	0.748	4	131.2806	1.211	24	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a]){1|B<4>,4|H<1>,6|C<3>}	132.1365	0.986	2	131.8607	0.748	4	131.2806	1.211	24	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a]){1|B<4>,3|H<1>,6|C<3>}	130.5900	0.000	1	131.6205	2.124	2	131.2806	1.211	24	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a]){1|B<4>,3|H<1>,6|C<3>}	132.6510	0.000	1	131.6205	2.124	2	131.2806	1.211	24	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	130.6750	0.287	2	130.6218	2.293	6	131.2806	1.211	24	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<2>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	127.8330	0.000	1	130.6218	2.293	6	131.2806	1.211	24	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	131.9630	0.027	2	130.6218	2.293	6	131.2806	1.211	24	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	130.6220	0.000	1	130.6218	2.293	6	131.2806	1.211	24	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]2)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]2)(H){1|B<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.3640	0.093	2	131.3640	0.009	2	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.7400	0.000	1	130.2436	0.732	16	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	130.9023	0.308	3	130.2436	0.732	16	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	129.0477	0.752	3	130.2436	0.732	16	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|Pd<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Pd<4>,1|B<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	130.2175	0.138	2	130.2436	0.732	16	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Br<1>,1|B<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	130.3518	0.547	6	130.2436	0.732	16	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Br<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(H){1|Br<1>,1|B<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Br<1>,1|B<4>,3|H<1>,6|C<3>}	129.7620	0.000	1	130.2436	0.732	16	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<2>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	131.3040	0.000	1	131.2233	0.204	4	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.2690	0.000	1	131.2233	0.204	4	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	131.1600	0.772	2	131.2233	0.204	4	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[5])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[5])(H){1|Fe<10>,1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	131.6970	0.000	1	131.6970	0.000	1	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	130.8700	0.000	1	130.8955	0.001	2	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	130.9210	0.000	1	130.8955	0.001	2	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H){1|B<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.1380	0.627	8	131.1148	0.341	10	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(H){1|B<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	131.0220	0.546	2	131.1148	0.341	10	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|C<2>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|B<4>,1|C<2>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	129.6970	0.621	2	129.7474	0.690	14	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	129.6610	0.793	10	129.7474	0.690	14	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){2|Cl<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(H){1|Cl<1>,1|B<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	130.2300	1.546	2	129.7474	0.690	14	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	129.5270	0.000	1	129.5270	0.000	1	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|H<1>,8|C<3>}	130.8745	0.271	2	131.0628	0.110	6	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|H<1>,8|C<3>}	131.1570	0.351	4	131.0628	0.110	6	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Br<1>,1|B<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	130.9615	0.441	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Br<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Br<1>,1|B<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	130.5023	0.401	3	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<2>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<2>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	129.9930	0.168	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|F<1>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.1705	0.298	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	129.4892	1.047	6	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	130.5980	0.000	1	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	131.4450	0.327	22	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	132.3130	0.568	3	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	130.8665	0.231	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Cl<1>,1|B<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	130.6040	0.000	1	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Cl<1>,1|B<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	130.7119	0.464	8	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	131.4375	0.235	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|H<2>,1|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	133.1337	0.307	4	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|O<2>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	132.4520	0.000	1	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|O<2>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	130.9590	0.525	3	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|S<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|S<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	128.1990	0.000	1	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	130.3420	0.000	1	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	129.9436	0.852	16	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	130.9225	0.383	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	130.2567	0.463	19	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	131.6200	0.000	1	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	130.8455	0.012	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	131.8940	0.000	1	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,2|F<1>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	130.4075	1.160	10	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.2330	0.148	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	130.3635	0.271	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	130.7370	0.153	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	131.3162	0.380	4	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,1|O<2>,3|H<1>,5|C<3>}	131.4525	0.286	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,1|S<2>,3|H<1>,5|C<3>}	131.3735	0.483	6	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	131.1540	0.167	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	131.4906	0.356	18	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<2>,2|H<1>,6|C<3>}	131.2457	0.241	4	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.2567	0.630	15	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	131.7005	0.166	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	131.4230	0.406	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	131.5964	0.551	70	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Br<1>,1|B<4>,3|H<1>,6|C<3>}	131.6070	0.327	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|N<2>,3|H<1>,5|C<3>}	131.1205	0.104	2	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|H<1>,6|C<3>}	131.6104	0.550	5	131.1372	0.757	255	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|H<1>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	130.9230	0.484	4	130.9230	0.235	4	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Si)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|Si<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Si)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	130.8250	0.000	1	130.8250	0.000	1	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){4|H<1>,7|C<3>}	134.3440	1.464	2	134.3440	2.142	2	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]P[6])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|P<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|P<4>,4|H<1>,6|C<3>}	132.1585	1.040	2	132.1585	1.082	2	131.0501	0.890	320	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|P<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2){1|C<2>,1|P<5>,4|H<1>,5|C<3>}	131.2080	0.000	1	131.2080	0.000	1	131.2080	0.000	1	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C[6])(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C[6])(H){1|Ga<4>,5|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<4>,2|F<1>,2|H<1>,6|C<3>}	133.2970	0.000	1	133.2970	0.000	1	132.3232	0.574	29	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	132.4207	0.722	4	132.5676	0.477	18	132.3232	0.574	29	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	132.3600	0.245	2	132.5676	0.477	18	132.3232	0.574	29	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	132.6573	0.805	10	132.5676	0.477	18	132.3232	0.574	29	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	132.6205	0.630	2	132.5676	0.477	18	132.3232	0.574	29	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|F<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|P<6>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	131.4520	0.246	2	131.7860	0.339	10	132.3232	0.574	29	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|P<6>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	132.3243	0.312	4	131.7860	0.339	10	132.3232	0.574	29	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|P<6>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,4|H<1>,6|C<3>}	131.3700	0.000	1	131.7860	0.339	10	132.3232	0.574	29	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|P<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<5>,2|F<1>,2|H<1>,6|C<3>}	131.1705	0.600	2	131.7860	0.339	10	132.3232	0.574	29	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]P[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(H){1|P<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<5>,4|H<1>,6|C<3>}	131.9480	0.000	1	131.7860	0.339	10	132.3232	0.574	29	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[5a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[5a])(C[5a]C[5a]H){1|H<1>,1|O<2>,1|S<2>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	134.0123	0.715	6	134.0123	0.511	6	134.0123	0.511	6	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|P<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2){1|C<2>,1|P<5>,4|H<1>,5|C<3>}	124.8610	0.000	1	124.8610	0.000	1	124.8610	0.000	1	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]B[6,6,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]B[6,6,6a]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|B<3>,3|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	139.2365	0.147	4	139.2365	0.022	4	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	134.5729	1.103	12	134.0141	1.890	97	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	132.1761	0.941	8	134.0141	1.890	97	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	134.1108	1.402	47	134.0141	1.890	97	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	133.7018	1.211	12	134.0141	1.890	97	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	134.4141	1.087	18	134.0141	1.890	97	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ga[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,2|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,2|C<4>,2|H<1>,6|C<3>}	127.7940	0.441	2	127.7940	0.195	2	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,1|O<3>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<6>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<6>,2|F<1>,2|H<1>,6|C<3>}	125.1052	0.438	8	124.9897	0.245	24	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,2|F<1>,2|H<1>,6|C<3>}	124.6121	0.260	8	124.9897	0.245	24	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,4|H<1>,6|C<3>}	125.1350	0.784	4	124.9897	0.245	24	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<6>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<6>,2|F<1>,2|H<1>,6|C<3>}	125.3683	0.163	4	124.9897	0.245	24	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,4|H<1>,6|C<3>}	128.5200	1.468	4	128.4133	2.462	6	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ge[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,4|H<1>,6|C<3>}	128.2000	2.390	2	128.4133	2.462	6	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Ge[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,4|C<3>,4|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,4|H<1>,6|C<3>}	127.0716	0.858	8	127.0716	0.737	8	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Si<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Si<5>,4|H<1>,6|C<3>}	129.5160	2.895	2	129.2805	3.665	4	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Si[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,3|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Si<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Si<5>,2|C<4>,2|H<1>,6|C<3>}	129.0450	1.547	2	129.2805	3.665	4	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]Si[4x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<3>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Si<6>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Si<6>,4|H<1>,6|C<3>}	126.8337	0.878	4	126.8337	0.770	4	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<5>,1|C<4>,1|H<1>,2|F<1>,6|C<3>}	126.6535	0.630	2	127.1577	0.474	4	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<4>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<4>,1|H<1>,2|F<1>,7|C<3>}	127.7290	0.000	1	127.1577	0.474	4	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<4>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<4>,2|F<1>,2|H<1>,6|C<3>}	127.5950	0.000	1	127.1577	0.474	4	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<5>,2|F<1>,2|H<1>,6|C<3>}	127.2700	1.540	2	127.9892	1.500	4	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ga[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<4>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ga<4>,2|F<1>,2|H<1>,6|C<3>}	128.7085	0.245	2	127.9892	1.500	4	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	126.7095	0.494	4	126.9379	0.660	22	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	126.9740	0.181	2	126.9379	0.660	22	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,1|N<3>,3|H<1>,6|C<3>}	126.2343	0.224	4	126.9379	0.660	22	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	127.4524	0.880	10	126.9379	0.660	22	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	126.1930	0.202	2	126.9379	0.660	22	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	127.5053	0.381	4	127.6974	0.425	22	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|F<1>,1|H<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	127.7080	0.115	2	127.6974	0.425	22	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	128.0474	0.688	10	127.6974	0.425	22	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,4|H<1>,6|C<3>}	127.0510	0.619	4	127.6974	0.425	22	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]Ge[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|Ge<5>,2|F<1>,2|H<1>,6|C<3>}	127.6135	0.006	2	127.6974	0.425	22	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|F<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|P<6>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	125.4950	0.460	2	125.5996	0.833	10	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|P<6>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	126.4373	0.367	4	125.5996	0.833	10	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|P<6>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<6>,4|H<1>,6|C<3>}	125.6910	0.000	1	125.5996	0.833	10	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|P<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<5>,2|F<1>,2|H<1>,6|C<3>}	124.2255	0.190	2	125.5996	0.833	10	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|P<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|P<5>,4|H<1>,6|C<3>}	125.1150	0.000	1	125.5996	0.833	10	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|F<1>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|P<6>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	126.0955	0.122	2	126.1021	0.343	11	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|P<6>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<6>,2|F<1>,2|H<1>,6|C<3>}	126.4860	0.596	4	126.1021	0.343	11	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|P<6>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<6>,4|H<1>,6|C<3>}	125.9930	0.000	1	126.1021	0.343	11	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|P<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<5>,2|F<1>,2|H<1>,6|C<3>}	125.2625	0.053	2	126.1021	0.343	11	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]P[5,3x6]C[5a,6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,3|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|P<5>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|P<5>,4|H<1>,6|C<3>}	126.2350	0.544	2	126.1021	0.343	11	130.1299	16.419	222	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6a]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6a]B[6,6,6a]C[5a,6a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6a]C[6])(C[5a]C[5a,6a]H)(H)	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6a]B[6,6,6a]C[5a,6a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6])(C[5a]C[5a,6a]H)(H){1|B<3>,3|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|B<3>,4|H<1>,6|C<3>}	138.8840	0.296	4	138.8840	0.088	4	138.8840	0.088	4	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6a]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6a]C[6])(C[5a]C[5a,6a]H)(H)	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|H<1>,6|C<3>}	C[5a](C[5a,6]N[5a,6,6a]C[6])(C[5a]C[5a,6a]H)(H){4|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	132.2470	0.000	1	132.2470	0.000	1	132.2470	0.000	1	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]H)(C[6]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CHO)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]H)(C[6]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CHO){1|B<4>,2|H<1>,4|C<3>}	130.6220	0.283	2	130.6220	0.080	2	130.6220	0.080	2	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC[6a]C)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6,6a]C){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC[6a]C){1|C<4>,2|H<1>,4|C<3>}	134.0060	0.247	2	134.0060	0.061	2	134.0060	0.061	2	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]H)(C[6]C[6a]C[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6a]C[6,6])(C[5a]C[5a,6a]H)(C[6]C[6a]C[6]){1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	132.6100	0.000	1	132.6100	0.000	1	132.6100	0.000	1	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6a]C[6])	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]H)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(H){6|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	132.8400	0.000	1	132.8400	0.000	1	132.8400	0.000	1	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){1|N<3>,1|O<2>,2|F<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|O<2>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	129.3455	0.337	2	130.2497	0.552	6	130.2497	0.552	6	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|S<2>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	130.6153	0.226	3	130.2497	0.552	6	130.2497	0.552	6	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,5a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,5a]H){2|F<1>,2|N<3>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	130.9610	0.000	1	130.2497	0.552	6	130.2497	0.552	6	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a,6]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|C<4>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	128.6325	0.720	4	128.6325	0.518	4	128.6325	0.518	4	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a,6a]2)(H){1|B<4>,1|S<2>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	129.4710	0.305	2	129.4710	0.093	2	129.4710	0.093	2	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|N<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	129.3900	0.000	1	129.3900	0.000	1	129.6835	0.172	2	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H){1|Re<6>,1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	129.9770	0.000	1	129.9770	0.000	1	129.6835	0.172	2	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCC){1|B<4>,2|H<1>,4|C<3>}	131.8715	0.103	2	131.8715	0.011	2	131.7534	0.734	29	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	130.9077	0.611	4	131.7447	0.788	27	131.7534	0.734	29	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	132.1350	0.000	1	131.7447	0.788	27	131.7534	0.734	29	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	131.8791	0.874	22	131.7447	0.788	27	131.7534	0.734	29	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|N<3>,3|H<1>,5|C<3>}	131.6160	0.402	4	131.6160	0.162	4	131.6160	0.162	4	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	131.1215	0.705	4	131.1215	0.498	4	128.5037	3.747	46	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a])	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a]){1|B<4>,1|O<2>,3|H<1>,6|C<3>}	129.9240	0.838	12	129.9240	0.702	12	128.5037	3.747	46	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	131.6115	0.681	4	131.6115	0.464	4	128.5037	3.747	46	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Ga<6>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Ga<6>,2|F<1>,2|H<1>,6|C<3>}	127.4478	0.154	6	127.3696	0.035	12	128.5037	3.747	46	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]Ga[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Ga<6>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Ga<6>,4|H<1>,6|C<3>}	127.2913	0.198	6	127.3696	0.035	12	128.5037	3.747	46	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){1|C<2>,1|H<1>,3|C<3>,5|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(H){1|In<6>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|In<6>,2|C<4>,2|H<1>,6|C<3>}	126.4073	0.637	4	126.4073	0.406	4	128.5037	3.747	46	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|In<6>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|In<6>,2|C<4>,2|H<1>,6|C<3>}	126.5370	0.256	2	126.7087	0.100	10	128.5037	3.747	46	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]In[3x6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]H){2|H<1>,3|C<3>,5|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|In<6>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|In<6>,2|F<1>,2|H<1>,6|C<3>}	126.7516	0.330	8	126.7087	0.100	10	128.5037	3.747	46	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:N-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NCC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(NCC){1|B<4>,2|H<1>,4|C<3>}	133.4215	2.464	2	133.4215	6.073	2	132.2553	2.753	32	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:N-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(NCH){1|B<4>,2|H<1>,4|C<3>}	131.9037	1.937	6	131.9037	3.751	6	132.2553	2.753	32	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:N-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H){1|B<4>,2|H<1>,4|C<3>}	132.0188	1.465	20	132.0188	2.147	20	132.2553	2.753	32	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:N-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NHN)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(NHN){1|B<4>,2|H<1>,4|C<3>}	132.2855	2.263	2	132.2855	5.123	2	132.2553	2.753	32	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:N-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NOO)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(NOO){1|B<4>,2|H<1>,4|C<3>}	134.4780	0.395	2	134.4780	0.156	2	132.2553	2.753	32	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	127.6674	0.519	5	127.7020	0.222	6	128.2939	0.988	14	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	127.8750	0.000	1	127.7020	0.222	6	128.2939	0.988	14	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|C<4>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	128.2345	0.433	2	128.7378	1.151	8	128.2939	0.988	14	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	129.8643	0.199	3	128.7378	1.151	8	128.2939	0.988	14	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	128.4390	0.000	1	128.7378	1.151	8	128.2939	0.988	14	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|H<1>,6|C<3>}	127.7005	1.111	2	128.7378	1.151	8	128.2939	0.988	14	130.8054	7.120	780	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](N[5a,6,6]C[6,6,6a]N[5a,6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]N[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C)(CCHH)	C[5a,6](N[5a,6,6]C[6,6,6a]N[5a,6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]N[5a,6]H)(H){1|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])(C[6]C[6,6a]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	134.6410	0.000	1	134.6410	0.000	1	134.6410	0.000	1	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5]-4:	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5]C[5]2Fe)	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|In<5>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5]C[5]2Fe){1|In<5>,2|C<4>,4|C<3>,4|H<1>}	125.7915	0.582	8	125.7915	0.339	8	125.7915	0.339	8	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:P-4:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]P)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(PO3)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]P)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]H)(H){1|Ga<5>,1|P<4>,2|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(PO3){1|Ga<5>,2|H<1>,4|C<3>}	125.5580	0.074	2	125.5580	0.005	2	125.5580	0.005	2	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,5a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCFF)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCFF){1|B<4>,2|H<1>,4|C<3>}	130.7263	0.632	6	130.7263	0.400	6	131.1438	1.083	16	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,5a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CF3)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CF3){1|B<4>,2|H<1>,4|C<3>}	131.3641	1.276	8	131.3641	1.629	8	131.1438	1.083	16	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,5a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CF3)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]C){1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(H){1|B<4>,1|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CF3){1|B<4>,2|H<1>,4|C<3>}	131.5145	1.066	2	131.5145	1.136	2	131.1438	1.083	16	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-3:Si-4:	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]Si)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C[6a])(SiC3)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]Si){2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Si<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C[6a])(SiC3){1|H<1>,6|C<3>}	131.7170	0.000	1	131.7170	0.000	1	131.7170	0.000	1	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]C[6]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)(CH3)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	130.7700	0.000	1	130.7700	0.000	1	130.7700	0.000	1	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:N[6]-3:C-4:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]O)(CH3)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]C){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<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>}	132.7360	0.000	1	132.7360	0.000	1	132.7360	0.000	1	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CC3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CC3){1|B<4>,2|H<1>,4|C<3>}	132.6650	0.154	2	132.6650	0.024	2	131.5094	0.513	18	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCCH){1|B<4>,2|H<1>,4|C<3>}	132.4165	0.760	2	132.4165	0.578	2	131.5094	0.513	18	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|H<1>,4|C<3>}	131.8975	0.532	2	131.1837	0.418	6	131.5094	0.513	18	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|Cl<1>,1|B<4>,1|C<3>,1|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|H<1>,4|C<3>}	130.8268	0.305	4	131.1837	0.418	6	131.5094	0.513	18	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|H<1>,4|C<3>}	131.2381	0.264	8	131.2381	0.070	8	131.5094	0.513	18	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5]C[5]2Fe)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[5])(C[5a]C[5a]H){1|Fe<10>,1|C<3>,1|N<3>,2|C<4>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5]C[5]2Fe){1|B<4>,2|C<4>,4|C<3>,4|H<1>}	131.9948	0.622	6	131.9948	0.386	6	131.9948	0.386	6	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>,2|F<1>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2H){1|B<4>,3|C<4>,4|H<1>,5|C<3>}	131.7545	0.241	2	131.7545	0.058	2	131.7545	0.058	2	130.5046	5.832	56	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6,6]-4:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]C[6]H)(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]O){1|C<4>,1|N<3>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]C[6]H)(O){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	127.2770	0.000	1	127.2770	0.000	1	127.2770	0.000	1	131.1253	1.724	22	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|O<1>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	131.4100	0.000	1	131.2993	0.078	10	131.3863	1.038	16	131.1253	1.724	22	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|O<1>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	131.4515	0.322	2	131.2993	0.078	10	131.3863	1.038	16	131.1253	1.724	22	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(H){1|O<1>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	131.2400	0.293	7	131.2993	0.078	10	131.3863	1.038	16	131.1253	1.724	22	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	128.8660	0.000	1	130.1987	1.922	3	131.3863	1.038	16	131.1253	1.724	22	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<2>,2|C<4>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<2>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	130.0970	0.000	1	130.1987	1.922	3	131.3863	1.038	16	131.1253	1.724	22	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	131.6330	0.000	1	130.1987	1.922	3	131.3863	1.038	16	131.1253	1.724	22	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	132.5740	0.000	1	132.5740	0.000	1	131.3863	1.038	16	131.1253	1.724	22	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){2|C<4>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H){1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	133.1400	0.000	1	133.0090	0.034	2	131.3863	1.038	16	131.1253	1.724	22	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){2|C<4>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(H){1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	132.8780	0.000	1	133.0090	0.034	2	131.3863	1.038	16	131.1253	1.724	22	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){3|C<4>,4|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){1|O<1>,3|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	131.4490	0.154	2	131.4490	0.024	2	131.4490	0.024	2	131.1253	1.724	22	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O-1:	C[5a,6]-3:C[6]-4:H-1:	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]N[5a]O)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]N[5a]O)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]C[6]H)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	131.1120	0.000	1	131.1120	0.000	1	131.1120	0.000	1	131.1253	1.724	22	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:Br-1:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]C[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Br)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(Br){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	132.0670	0.000	1	132.0670	0.000	1	132.0670	0.000	1	131.1253	1.724	22	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:H-1:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]C)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]C)(O){1|C<4>,3|H<1>,4|C<3>}	129.2220	0.000	1	129.2220	0.000	1	129.2220	0.000	1	131.1253	1.724	22	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:C-2:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CC)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(H){1|C<2>,3|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	131.1860	0.000	1	131.1860	0.000	1	131.1860	0.000	1	128.8415	10.993	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6]-4:N-2:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NS)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]N){2|C<4>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]H)(H){1|N<2>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NS){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	126.4970	0.000	1	126.4970	0.000	1	126.4970	0.000	1	128.8415	10.993	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6,6]-4:C-3:	C[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6,6]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CCH)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6,6]C){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CCH){1|C<4>,4|C<3>,4|H<1>}	131.5570	0.000	1	131.5570	0.000	1	131.5570	0.000	1	131.5570	0.000	1	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:S[5a]-2:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]S[5a])(C[6]O[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(S[5a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]S[5a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(S[5a]N[5a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	129.0460	0.000	1	129.0460	0.000	1	129.0460	0.000	1	132.9975	31.229	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	136.9490	0.000	1	136.9490	0.000	1	136.9490	0.000	1	132.9975	31.229	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:2:2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:O[6]-2:N-2:	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]N)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(NC)	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]N){4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(NC){2|N<2>,3|C<3>}	137.2320	0.000	1	137.2320	0.000	1	137.2320	0.000	1	137.2320	0.000	1	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	134.1345	0.532	2	134.0970	0.146	3	134.0970	0.146	3	132.5138	5.041	9	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	134.0220	0.000	1	134.0970	0.146	3	134.0970	0.146	3	132.5138	5.041	9	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]N[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]C)(H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]N[6]H){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]C)(H){1|N<2>,1|N<3>,3|C<3>}	136.3920	0.000	1	136.3920	0.000	1	136.3920	0.000	1	132.5138	5.041	9	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]S)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)(SC)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]S){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)(SC){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	132.0570	0.000	1	132.0570	0.000	1	132.0570	0.000	1	132.5138	5.041	9	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-2:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CC){1|B<4>,1|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<2>,1|C<4>,4|C<3>}	130.3730	0.000	1	130.3730	0.000	1	130.3730	0.000	1	132.5138	5.041	9	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O-2:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(OC)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(OC){1|Br<1>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|O<2>,4|C<3>}	130.7870	0.279	2	130.5037	0.280	3	130.5037	0.280	3	132.5138	5.041	9	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O-2:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(OC)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(OC){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|O<2>,4|C<3>}	129.9370	0.000	1	130.5037	0.280	3	130.5037	0.280	3	132.5138	5.041	9	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S-2:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]S)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(SC[6a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]S){1|Br<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(SC[6a]){1|B<4>,1|S<2>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|H<1>,2|S<2>,6|C<3>}	131.3570	0.841	2	131.3570	0.708	2	131.3570	0.708	2	131.6537	0.618	3	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-2:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6a]C[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CN)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a,6]C[6])(CN){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	132.2470	0.000	1	132.2470	0.000	1	132.2470	0.000	1	131.6537	0.618	3	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CH3)	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]C[6a]N[5a])(C[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	141.6830	0.000	1	141.6830	0.000	1	141.6830	0.000	1	141.6830	0.000	1	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	137.3560	0.000	1	137.3560	0.000	1	137.3586	0.115	5	136.5742	3.784	6	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	137.3593	0.392	4	137.3593	0.154	4	137.3586	0.115	5	136.5742	3.784	6	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	132.6520	0.000	1	132.6520	0.000	1	132.6520	0.000	1	136.5742	3.784	6	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[5a]-3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	130.2660	0.000	1	130.2660	0.000	1	130.2660	0.000	1	130.2660	0.000	1	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(CC[6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	130.5860	0.182	2	130.5860	0.033	2	131.4096	3.550	5	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	133.5560	0.000	1	133.3630	0.074	2	131.4096	3.550	5	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	133.1700	0.000	1	133.3630	0.074	2	131.4096	3.550	5	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6]C[5a,6]C[6])(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6]C[5a,6]C[6])(COO){1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	129.1500	0.000	1	129.1500	0.000	1	131.4096	3.550	5	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCC)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]H){1|Rh<5>,1|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCC){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	137.4470	0.000	1	137.4470	0.000	1	134.3490	19.195	2	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]C)(COO){1|C<2>,1|C<3>,1|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	131.2510	0.000	1	131.2510	0.000	1	134.3490	19.195	2	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O){2|C<4>,6|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	131.3230	0.000	1	131.3230	0.000	1	131.9455	0.775	2	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	132.5680	0.000	1	132.5680	0.000	1	131.9455	0.775	2	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|Rh<5>,3|C<3>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	136.8785	0.018	2	136.8785	0.000	2	136.8785	0.000	2	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|O<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|O<2>,4|C<3>}	133.6030	0.248	3	133.6030	0.061	3	133.6658	0.057	4	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(C[6a]C[6a]2){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|O<2>,4|C<3>}	133.8540	0.000	1	133.8540	0.000	1	133.6658	0.057	4	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:C-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6,6a]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]C[6])(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a,6]C[6])(COO){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	132.3870	0.000	1	132.3870	0.000	1	132.3870	0.000	1	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[5]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C[5])(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]Os)(C[5]N[5]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C[5])(C[6]C[6]H){1|Os<9>,1|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]Os)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	139.2320	0.000	1	139.2320	0.000	1	139.2320	0.000	1	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH){1|C<4>,1|N<3>,1|O<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>}	131.7030	0.048	2	131.7030	0.002	2	131.7030	0.002	2	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6,6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	131.0270	0.000	1	131.0270	0.000	1	131.0270	0.000	1	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(CC[6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|O<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(CC[6a]O){1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	130.2850	0.066	2	130.2850	0.004	2	129.6434	4.248	5	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|C<4>,1|O<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCO){1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	132.4200	0.000	1	132.4200	0.000	1	129.6434	4.248	5	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(CC[5a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(CC[5a]O){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|S<2>,5|C<3>}	127.2870	0.000	1	127.2870	0.000	1	129.6434	4.248	5	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(CC[6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|O<1>,1|S<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(CC[6a]O){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|S<2>,5|C<3>}	127.9400	0.000	1	127.9400	0.000	1	129.6434	4.248	5	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:N-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(NHH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]N){1|Ni<4>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(NHH){1|Ni<4>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|N<3>,4|C<3>}	129.1767	0.505	3	129.1767	0.255	3	129.1767	0.255	3	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:C-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]N[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]N[5a]C){1|C<4>,1|O<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)(COO){1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	130.3880	0.021	2	130.3880	0.000	2	130.3880	0.000	2	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5,5a,6]C[5,5a]C[5,6])(C[5a]C[5a]B)(C[6]C[6]H)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(BC[6a]2)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5,5a,6]C[5,5a]C[5,6])(C[5a]C[5a]B)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(BC[6a]2){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[6]C[6]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	140.1050	0.000	1	140.1050	0.000	1	140.1050	0.000	1	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:B-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]B)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(BC[6a]2)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]B)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(BC[6a]2){1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	140.9030	0.000	1	140.9030	0.000	1	140.9030	0.000	1	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(CHO)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(CHO){1|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	141.5100	0.000	1	141.5100	0.000	1	141.6475	0.038	2	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(COO)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(COO){1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	141.7850	0.000	1	141.7850	0.000	1	141.6475	0.038	2	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]2)(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[5a]N[5a]S[5a])	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[5a]N[5a]S[5a]){1|H<1>,7|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	140.8100	0.000	1	140.8100	0.000	1	140.8100	0.000	1	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6]C[6]N[6])	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6])(C[6]C[6]H){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6]C[6]N[6]){1|B<4>,2|H<1>,7|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	141.1885	1.261	2	141.1885	1.590	2	141.1885	1.590	2	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,6|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5])(C[6a]C[6a]2){1|B<4>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	140.3530	0.000	1	140.3530	0.000	1	141.4310	0.886	5	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,6|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2){1|B<3>,1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	141.4100	0.000	1	141.4100	0.000	1	141.4310	0.886	5	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	142.9200	0.000	1	142.1830	1.086	2	141.4310	0.886	5	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,6|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,6|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	141.4460	0.000	1	142.1830	1.086	2	141.4310	0.886	5	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]H)(C[6a]C[6a]2){1|B<3>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	141.0260	0.000	1	141.0260	0.000	1	141.4310	0.886	5	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[6a]C[6a]N[6a])(C[5a]C[5a,5a]H){2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	141.9615	0.121	2	141.9615	0.015	2	141.9615	0.015	2	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCH)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCH){1|Ga<5>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,1|C<4>,5|C<3>}	125.6035	0.275	2	125.6035	0.076	2	125.6035	0.076	2	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,5a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H)	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,6|C<3>}	129.7940	0.300	2	129.7940	0.090	2	129.7940	0.090	2	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(CC[6a]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	133.9020	0.392	2	133.9020	0.153	2	134.0715	0.118	4	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(COO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|F<1>,4|C<3>}	134.0340	0.000	1	134.2410	0.086	2	134.0715	0.118	4	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(COO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(COO){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	134.4480	0.000	1	134.2410	0.086	2	134.0715	0.118	4	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5,6]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|B<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|B<4>,3|C<4>,4|C<3>}	131.7520	0.000	1	131.7520	0.000	1	131.7520	0.000	1	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|B<4>,3|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,6|C<3>}	130.1732	0.825	4	130.1732	0.680	4	130.1732	0.680	4	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a,6a]C[6a])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a,6a]C[6a]){2|H<1>,8|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	133.8010	0.000	1	133.8010	0.000	1	133.8010	0.000	1	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]2)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]Br)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]2){2|Br<1>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S[5a])(C[5a]C[5a]Br){1|Br<1>,1|B<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,5|C<3>}	131.4180	0.000	1	131.4180	0.000	1	131.4180	0.000	1	133.9652	23.451	59	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:O-2:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC[6a])	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC[6a]){1|H<1>,2|C<3>,2|N<3>}	137.8165	0.995	2	137.8165	0.990	2	137.8165	0.990	2	134.2390	12.783	5	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C-2:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])2(CN)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(C[6a]C[6a]2){1|B<4>,1|C<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CN){1|B<4>,6|C<3>}	130.7605	0.554	2	130.7605	0.307	2	130.7605	0.307	2	134.2390	12.783	5	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6])	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6])	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]){1|C<4>,3|H<1>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|H<1>,5|C<3>}	134.0410	0.000	1	134.0410	0.000	1	134.0410	0.000	1	134.2390	12.783	5	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a]){2|Cl<1>,1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Cl)(C[6a]C[6a]2){1|Cl<1>,1|B<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|H<1>,8|C<3>}	131.5000	0.160	2	131.5000	0.026	2	131.5000	0.026	2	133.6134	2.436	7	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]2)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C[6]){1|H<1>,3|N<3>,6|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]2){1|Ga<4>,2|N<3>,5|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<4>,1|H<1>,2|F<1>,7|C<3>}	133.5040	0.000	1	133.5040	0.000	1	133.5040	0.000	1	133.6134	2.436	7	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:N-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]N)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(NOO)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ge[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]N){1|H<1>,1|O<2>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(NOO){1|Ge<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ge<5>,1|N<3>,3|H<1>,6|C<3>}	134.6975	0.562	4	134.6975	0.315	4	134.6975	0.315	4	133.6134	2.436	7	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:4:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]C)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(CH3)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]C){1|H<1>,1|N<2>,5|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,7|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	142.4990	0.000	1	142.4990	0.000	1	142.4990	0.000	1	142.4990	0.000	1	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[5]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[5]C[5]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	132.0660	0.000	1	132.0660	0.000	1	132.0660	0.000	1	132.9879	2.096	7	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	134.9110	0.000	1	134.9110	0.000	1	134.9110	0.000	1	132.9879	2.096	7	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]CC)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(C[6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]CC)(O){1|N<3>,3|C<3>}	134.7070	0.000	1	134.7070	0.000	1	133.4387	1.317	3	132.9879	2.096	7	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	132.4720	0.000	1	132.4720	0.000	1	133.4387	1.317	3	132.9879	2.096	7	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(C[6a]C[6a]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	133.1370	0.000	1	133.1370	0.000	1	133.4387	1.317	3	132.9879	2.096	7	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]CH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	132.8150	0.000	1	132.8150	0.000	1	132.8150	0.000	1	132.9879	2.096	7	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	130.8070	0.000	1	130.8070	0.000	1	130.8070	0.000	1	132.9879	2.096	7	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:N-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]H)(NOO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]C){1|C<4>,5|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]N[5a]H)(NOO){1|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	137.9305	0.067	2	137.9305	0.005	2	137.9305	0.005	2	137.9305	0.005	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:2:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:N[6]-2:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H){1|B<4>,1|C<4>,3|C<3>}	131.2400	0.000	1	131.2400	0.000	1	131.2400	0.000	1	131.2400	0.000	1	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6,6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]S[6])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6,6]O){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]S[6])(O){1|C<4>,2|N<3>,2|O<1>,3|C<3>}	130.9955	0.025	2	130.9955	0.001	2	130.9955	0.001	2	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|O<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CH3){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,3|C<3>}	132.7820	0.000	1	132.7820	0.000	1	133.3349	1.049	7	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,3|C<3>}	133.8506	0.371	5	133.8506	0.138	5	133.3349	1.049	7	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	131.3090	0.000	1	131.3090	0.000	1	133.3349	1.049	7	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]N[6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]Ni)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]N[6]H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]Ni)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	135.7785	0.340	2	135.7785	0.116	2	135.7785	0.116	2	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|Ga<5>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,2|C<4>,4|C<3>}	124.3890	0.212	2	124.3890	0.045	2	125.8457	0.496	38	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3){1|Ga<5>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,1|C<4>,5|C<3>}	126.1490	0.000	1	125.5247	0.293	4	125.8457	0.496	38	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3){1|Ga<5>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,2|C<4>,4|C<3>}	125.6100	0.000	1	125.5247	0.293	4	125.8457	0.496	38	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,3|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3){1|Ga<5>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,1|C<4>,5|C<3>}	125.5100	0.000	1	125.5247	0.293	4	125.8457	0.496	38	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,3|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CH3){1|Ga<5>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,2|C<4>,4|C<3>}	124.8300	0.000	1	125.5247	0.293	4	125.8457	0.496	38	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|In<5>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|In<5>,2|C<4>,4|C<3>}	126.2280	0.709	16	126.2280	0.502	16	125.8457	0.496	38	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,3|C<3>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|H<1>,1|P<6>,2|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|P<6>,2|C<4>,4|C<3>}	125.7286	0.317	8	125.7257	0.177	16	125.8457	0.496	38	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,2|C<3>,2|C<4>,3|N<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|H<1>,1|P<6>,2|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|P<6>,2|C<4>,4|C<3>}	125.7228	0.528	8	125.7257	0.177	16	125.8457	0.496	38	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]C)(C[6]C[5a,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a,6]2)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]C)(C[6]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a,6]C[5a,6]2)(CH3){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	132.1880	0.205	2	132.1880	0.042	2	132.1880	0.042	2	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:N[5,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H){1|B<4>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H){1|B<4>,1|C<4>,1|O<2>,2|F<1>,3|C<3>}	130.6390	0.000	1	130.6390	0.000	1	130.4065	0.058	4	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:N[5,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H){1|B<4>,1|C<4>,1|O<2>,2|F<1>,3|C<3>}	130.3290	0.226	3	130.3290	0.051	3	130.4065	0.058	4	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	129.6535	0.114	2	129.6535	0.013	2	130.1791	0.211	7	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	130.2310	0.526	2	130.2310	0.277	2	130.1791	0.211	7	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	130.5175	0.340	2	130.5175	0.116	2	130.1791	0.211	7	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:N[6,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Se)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|Se<2>,1|B<4>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Se)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	130.4500	0.000	1	130.4500	0.000	1	130.1791	0.211	7	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H){1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CCCH){1|B<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	130.9350	0.233	2	130.9350	0.054	2	130.9350	0.054	2	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	130.2603	0.368	4	130.2603	0.135	4	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	130.4975	0.089	4	130.4975	0.008	4	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	130.6305	0.170	6	130.6305	0.029	6	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	130.5730	0.000	1	130.6040	0.006	3	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	130.6195	0.100	2	130.6040	0.006	3	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	130.3517	0.278	4	130.3517	0.077	4	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a,6]C[5a,6,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]C[5a,6,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,2|C<4>,4|C<3>}	131.3895	0.349	2	131.3895	0.122	2	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	130.7390	0.000	1	130.7390	0.000	1	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Br<1>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,2|C<4>,4|C<3>}	131.5990	0.000	1	131.5990	0.000	1	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	131.0930	0.000	1	130.7495	0.236	2	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	130.4060	0.000	1	130.7495	0.236	2	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Br<1>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	130.7890	0.000	1	131.2918	0.284	24	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	131.6018	0.426	5	131.2918	0.284	24	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,5|C<3>}	130.7990	0.000	1	131.2918	0.284	24	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	131.4152	0.228	5	131.2918	0.284	24	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|O<2>,4|C<3>}	131.2900	0.000	1	131.2918	0.284	24	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	131.3752	0.476	8	131.2918	0.284	24	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	131.2195	0.204	2	131.2918	0.284	24	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	129.6000	0.000	1	131.2918	0.284	24	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	131.4070	0.000	1	131.4070	0.000	1	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	131.4725	0.428	4	131.4725	0.183	4	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	130.9912	0.422	4	131.0387	0.192	15	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<2>,1|C<4>,4|C<3>}	131.0730	0.000	1	131.0387	0.192	15	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	131.2850	0.679	4	131.0387	0.192	15	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	130.8420	0.000	1	131.0387	0.192	15	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	131.0770	0.202	3	131.0387	0.192	15	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	130.6650	0.342	2	131.0387	0.192	15	130.9934	0.301	71	129.6940	6.861	135	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-2:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a,6]N[5a,6]C[5a])2(CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<3>,2|C<2>}	C[6](C[5a,6]N[5a,6]C[5a])2(CC){1|B<4>,2|C<4>,4|C<3>}	131.3315	0.414	2	131.6856	0.162	5	131.6856	0.162	5	131.6856	0.162	5	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-2:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a,6]N[5a,6]C[5a])2(CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|Cl<1>,1|B<4>,1|C<2>,1|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CC){1|B<4>,2|C<4>,4|C<3>}	131.9217	0.171	3	131.6856	0.162	5	131.6856	0.162	5	131.6856	0.162	5	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|N<3>,1|S<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	132.0140	0.000	1	132.3765	0.263	2	132.3765	0.263	2	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N){1|C<3>,1|O<1>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	132.7390	0.000	1	132.3765	0.263	2	132.3765	0.263	2	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<2>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	132.2545	0.179	2	132.2545	0.032	2	132.0315	0.053	12	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5,5a]C[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5,5a]C[5a]){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	132.0025	0.039	2	132.0025	0.002	2	132.0315	0.053	12	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6]C[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6]C[5a]){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	131.6990	0.071	2	131.6990	0.005	2	132.0315	0.053	12	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,2|C<4>,2|H<1>,5|C<3>}	132.0970	0.035	2	132.1533	0.031	4	132.0315	0.053	12	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|Se<3>,1|B<4>,1|H<1>,1|S<2>,2|C<4>,5|C<3>}	132.2095	0.281	2	132.1533	0.031	4	132.0315	0.053	12	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a,6](C[6]C[5a,6]C[5a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	131.9265	0.211	2	131.9265	0.045	2	132.0315	0.053	12	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,3|C<4>,6|C<3>}	131.4280	0.000	2	131.6146	0.642	5	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.3160	0.000	1	131.6146	0.642	5	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.9505	1.477	2	131.6146	0.642	5	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|B<4>,1|C<2>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	132.1985	0.018	2	132.1962	0.038	6	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CCHH){1|Cl<1>,1|B<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	132.1950	0.250	4	132.1962	0.038	6	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a])	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a]){1|B<4>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	132.1753	0.448	4	132.0375	0.167	8	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a])	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[5a,6a]C[6a]){1|B<4>,1|H<1>,1|S<2>,2|C<4>,6|C<3>}	131.8998	0.372	4	132.0375	0.167	8	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6,6a]C[6a])	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6,6a]C[6a]){1|B<4>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	132.0955	0.203	2	132.0955	0.041	2	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|C<4>,8|C<3>}	132.3015	0.552	2	132.3015	0.305	2	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a])	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a]){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	132.1065	0.660	2	132.1065	0.435	2	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.6023	0.619	7	131.9630	0.352	73	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<2>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	131.7512	0.538	4	131.9630	0.352	73	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.7603	0.576	12	131.9630	0.352	73	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	131.3450	0.192	5	131.9630	0.352	73	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	132.0660	0.000	1	131.9630	0.352	73	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	132.3660	0.000	1	131.9630	0.352	73	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,3|C<4>,6|C<3>}	131.6050	0.000	2	131.9630	0.352	73	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|F<1>,6|C<3>}	132.9205	0.476	4	131.9630	0.352	73	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	132.2522	0.431	29	131.9630	0.352	73	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	132.1205	0.206	2	131.9630	0.352	73	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.3915	0.280	6	131.9630	0.352	73	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[5])(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[5])(CH3){1|B<4>,1|C<4>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.8400	0.000	1	131.8400	0.000	1	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,1|C<4>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.6044	0.386	8	131.6044	0.149	8	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]2){1|B<4>,2|C<4>,8|C<3>}	131.8988	0.146	5	131.8988	0.021	5	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a])	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a,6a]C[6a]){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	131.9460	0.164	4	131.9460	0.027	4	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|F<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	131.2365	0.448	2	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.8445	0.084	2	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	132.0920	0.092	2	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	132.2580	0.452	4	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|H<1>,3|C<4>,6|C<3>}	132.1040	0.049	2	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,1|N<2>,2|C<4>,2|H<1>,5|C<3>}	131.8717	0.673	4	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|F<1>,6|C<3>}	132.1805	0.542	4	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	132.0536	0.419	141	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	131.6090	0.263	7	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Cl<1>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	132.4445	0.013	2	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|Si<4>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	132.0980	0.134	4	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){2|Cl<1>,1|B<4>,2|C<4>,6|C<3>}	132.2630	0.115	2	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.7874	0.326	20	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.5980	0.136	2	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|F<1>,6|C<3>}	132.2395	1.308	4	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.9557	0.719	10	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,4|C<4>,6|C<3>}	131.0540	0.000	1	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.3565	0.366	4	131.9925	0.223	217	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|I<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.6664	0.515	13	131.6664	0.265	13	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,2|F<1>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	132.0835	0.196	2	132.0835	0.038	2	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](C[6]C[5a,6]C[6a])(N[5a,6]C[5a]B[6])(C[5a]C[5a]C){1|C<4>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]S)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	130.7800	1.468	2	130.7800	2.155	2	131.9588	0.261	350	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C)(CF3)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<3>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C)(CF3){1|Ga<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<5>,1|C<4>,1|H<1>,2|F<1>,6|C<3>}	134.0320	0.000	1	134.0320	0.000	1	134.7705	1.091	2	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(CF3)	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2)	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<3>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(CF3){1|Ga<5>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6a]C[6a]2){1|Ga<5>,1|C<4>,1|H<1>,2|F<1>,6|C<3>}	135.5090	0.000	1	135.5090	0.000	1	134.7705	1.091	2	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6,6]C[5a,6]B[3x6])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|N<3>,4|C<3>}	C[5a](C[5a,6]N[5a,6,6]C[6])(C[5a]C[5a,6]C)(CCHH){1|B<4>,3|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	135.6607	0.544	6	135.6607	0.296	6	135.6607	0.296	6	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,1|C<2>,2|C<4>,2|H<1>,5|C<3>}	132.1610	0.000	1	132.1610	0.000	1	133.0555	1.600	2	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,1|C<2>,2|C<4>,2|H<1>,5|C<3>}	133.9500	0.000	1	133.9500	0.000	1	133.0555	1.600	2	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	131.8910	0.000	1	131.9260	0.001	3	131.4285	0.632	27	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|C<4>,4|C<3>}	131.9435	0.012	2	131.9260	0.001	3	131.4285	0.632	27	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O){1|B<4>,2|C<4>,4|C<3>}	132.3060	0.500	3	132.3060	0.250	3	131.4285	0.632	27	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|C<4>,4|C<3>}	131.8448	0.827	4	131.8448	0.684	4	131.4285	0.632	27	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O){1|B<4>,2|C<4>,4|C<3>}	132.3310	0.219	3	132.3310	0.048	3	131.4285	0.632	27	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CHH)	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Si<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CHH){1|Si<4>,2|C<4>,4|C<3>}	130.4545	0.073	2	130.9200	0.296	4	131.4285	0.632	27	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CHH)	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Si<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CHH){1|Si<4>,2|C<4>,4|C<3>}	131.3855	0.125	2	130.9200	0.296	4	131.4285	0.632	27	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-3:	C[5a,6](N[5a,6]Si[4,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CHH)	C[5a,6](N[5a,6]Si[4,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|Si<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CHH){1|Si<4>,2|C<4>,4|C<3>}	130.7821	0.407	10	130.7821	0.166	10	131.4285	0.632	27	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]Br)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.6100	0.238	2	131.6100	0.056	2	131.9780	0.153	14	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	132.6135	0.203	2	132.6135	0.041	2	131.9780	0.153	14	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]2){1|B<4>,2|C<4>,8|C<3>}	131.7870	0.000	1	131.7870	0.000	1	131.9780	0.153	14	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]C[6])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]C[6]){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	132.1380	0.468	2	132.1380	0.219	2	131.9780	0.153	14	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,1|N<3>,2|C<4>,2|H<1>,5|C<3>}	131.9690	0.000	1	131.8831	0.074	7	131.9780	0.153	14	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.7802	0.323	4	131.8831	0.074	7	131.9780	0.153	14	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|Cl<1>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	132.0460	0.170	2	131.8831	0.074	7	131.9780	0.153	14	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.1250	0.276	2	131.1250	0.076	2	131.3390	0.088	4	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.5530	0.072	2	131.5530	0.005	2	131.3390	0.088	4	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[6]C[5a,6]C[6a])(C[5a]C[5a,6a]C){1|N<3>,2|F<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(CH3){1|B<4>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	131.6773	0.312	3	131.6773	0.097	3	131.6773	0.097	3	131.9928	0.534	422	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C-4:	C[5a,6]-3:N[6]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6]H)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CH3){1|C<4>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	135.6640	0.000	1	135.6640	0.000	1	135.6640	0.000	1	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	131.8105	0.269	2	131.8105	0.073	2	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(CH3){1|B<4>,1|C<4>,5|C<3>}	132.4830	0.553	2	132.4830	0.306	2	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|C<4>,4|C<3>}	132.8240	0.139	2	132.8240	0.019	2	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	131.6070	0.021	2	131.8093	0.376	15	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|O<2>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	131.3405	0.146	2	131.8093	0.376	15	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<2>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	131.9035	0.490	2	131.8093	0.376	15	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	132.6460	0.000	1	131.8093	0.376	15	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	132.5090	0.000	1	131.8093	0.376	15	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	132.0190	0.000	1	131.8093	0.376	15	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	132.4630	0.144	2	131.8093	0.376	15	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C)(CH3){1|B<4>,1|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	131.3342	0.696	4	131.8093	0.376	15	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CH3){1|B<4>,2|C<4>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	131.9950	0.000	1	131.9950	0.000	1	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	131.9765	0.192	2	132.1446	0.042	7	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	132.2088	0.213	4	132.1446	0.042	7	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(CH3){1|B<4>,1|C<4>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	132.2240	0.000	1	132.1446	0.042	7	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|F<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]I)(CH3){1|B<4>,1|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CCHH){1|B<4>,2|C<4>,4|C<3>}	131.9955	0.177	2	131.9955	0.032	2	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:4:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a,6]-3:C-4:	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,2|F<1>,2|N<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]N)(CH3){1|B<4>,1|C<3>,2|C<4>}	C[6](C[5a,6]N[5a,6]C[5a])2(CH3){1|B<4>,2|C<4>,4|C<3>}	130.8200	0.000	1	130.8200	0.000	1	131.9748	0.320	32	132.0865	0.722	33	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]FF)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|H<1>,2|C<3>,2|F<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]FF)(O){1|C<4>,1|O<2>,3|C<3>}	133.9020	0.000	1	133.9020	0.000	1	132.6895	2.940	2	132.6895	2.940	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O){3|C<4>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)(CCHH){1|O<1>,3|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,4|C<4>}	131.4770	0.000	1	131.4770	0.000	1	132.6895	2.940	2	132.6895	2.940	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CC[6a]HO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]O[5a])(CC[6a]HO){2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,3|C<3>}	134.7960	0.000	1	134.7960	0.000	1	133.2215	4.958	2	133.2215	4.958	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C-4:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CC[6a]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCH)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C){2|C<4>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]O[5a]C)(CC[6a]CH){1|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCH){1|O<2>,2|C<4>,3|C<3>}	131.6470	0.000	1	131.6470	0.000	1	133.2215	4.958	2	133.2215	4.958	2	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a,6]	C[5a]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a]){2|C<4>,2|N<3>,2|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	131.5090	0.000	1	131.5090	0.000	1	131.5090	0.000	1	131.5090	0.000	1	131.6425	8.186	1933	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5,5a,6]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[5,5a,6]-3:C[6]-3:N[5a]-3:	C[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(C[6]C[6]N[6])(N[5a]N[5a]Pt)	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C[6])	C[6](C[5a]C[5,5a,6]N[5a])(C[6]C[6,6a]H)(N[6]C[6]Pt)	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(C[6]C[6]N[6])(N[5a]N[5a]Pt){2|C<3>,2|H<1>,3|C<4>}	C[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(C[5a]N[5a]C[6]){1|Pt<4>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](C[5a]C[5,5a,6]N[5a])(C[6]C[6,6a]H)(N[6]C[6]Pt){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	138.4955	0.770	4	138.4955	0.593	4	138.4955	0.593	4	138.4955	0.593	4	138.4955	0.593	4	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5,5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6]-3:	N[5,5a,6]-3:C[5,5a]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(C[6]C[5a,6]2)	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C[6])	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5,5a]C[5a])	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(C[6]C[5a,6]2){1|Ga<4>,3|N<3>,4|C<3>}	C[5,5a](N[5,5a,6]Ga[5,3x6]C[5a,6])(C[5,5a]N[5,5a,6]C[5a])(C[5a]C[5a]C[6]){2|H<1>,2|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5,5a]C[5a]){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	126.6010	0.000	1	126.6010	0.000	1	126.6010	0.000	1	126.6010	0.000	1	126.6010	0.000	1	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6,6]	C[6]	3:3:3:	3:4:3:	3:3:2:	C[5a,6,6]-3:C[6]-3:N[5a]-3:	C[5a,6,6]-3:C[3x6]-4:C[5a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C[6])	C[6](C[5a]C[5a,6,6]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[5a,6,6](C[5a,6,6]C[3x6]C[5a])(C[3x6]C[6,6]2H)(C[5a]N[5a]C[6]){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[5a]C[5a,6,6]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	132.1120	0.235	2	132.1120	0.055	2	132.1120	0.055	2	132.1120	0.055	2	132.1120	0.055	2	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(C[6]C[6]2)	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[6])(O[6]C[6])	C[6](C[5a]C[5a,6]S[5a])(C[6]C[6]O)2	C[5a](C[5a,6]C[5a,6]O[6])(S[5a]C[5a])(C[6]C[6]2){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(C[5a]S[5a]C[6])(O[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a,6]S[5a])(C[6]C[6]O)2{1|O<1>,2|O<2>,3|C<3>}	127.6120	0.000	1	127.6120	0.000	1	127.6120	0.000	1	127.6120	0.000	1	125.6250	8.749	7	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6]	C[6]	3:2:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(C[6]C[6]2)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a]C[5a,6]N[5a])(C[6]C[6]H)2	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(C[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]N[5a]C[6])(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[5a]C[5a,6]N[5a])(C[6]C[6]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	130.8870	0.000	1	130.8870	0.000	1	130.8870	0.000	1	130.8870	0.000	1	125.6250	8.749	7	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6])	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6]){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	125.2930	0.000	1	125.1040	0.071	2	125.1040	0.071	2	125.1040	0.071	2	125.6250	8.749	7	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:N[6]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6])	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6])(N[6]C[5a,6]){1|Br<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.9150	0.000	1	125.1040	0.071	2	125.1040	0.071	2	125.1040	0.071	2	125.6250	8.749	7	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5,5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]2)	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C[6])	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6]C[5a])	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]2){1|Ga<4>,2|N<3>,5|C<3>}	C[5a,6](N[5,5a,6]Ga[5,3x6]C[5,5a])(C[6]C[5a,6]C[6a])(C[5a]C[5a]C[6]){1|H<1>,3|N<3>,6|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6]C[5a]){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	125.7330	0.000	1	125.7330	0.000	1	125.7330	0.000	1	123.5560	3.702	3	125.6250	8.749	7	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6]C[6]N[6])	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6])(C[6]C[6]H)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)(N[6]C[6]B)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6]C[6]N[6]){1|B<4>,2|H<1>,7|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6])(C[6]C[6]H){1|H<1>,1|N<3>,5|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>}	122.4675	0.542	2	122.4675	0.294	2	122.4675	0.294	2	123.5560	3.702	3	125.6250	8.749	7	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[6]	3:2:3:	3:3:3:	3:3:3:	C[5a,6a]-3:O[5a]-2:C[6]-3:	C[5a,6a,6a]-3:C[6a,6a]-3:C[5a]-3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6]C[6,6a]2)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]O[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a,6a]O[5a])	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6]C[6,6a]2){8|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5a]O[5a]C[6]){1|N<3>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a,6a]O[5a]){1|N<3>,2|O<2>,7|C<3>}	137.4390	0.000	1	137.4390	0.000	1	137.4390	0.000	1	137.4390	0.000	1	128.5031	20.934	20	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6])(C[6a]N[6a]O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6])(C[6a]N[6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	123.6480	0.000	1	123.6480	0.000	1	124.2560	3.254	6	128.2396	19.168	17	128.5031	20.934	20	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)(C[6]C[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	123.9260	0.000	1	123.9260	0.000	1	124.2560	3.254	6	128.2396	19.168	17	128.5031	20.934	20	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	122.5485	0.276	2	122.5485	0.076	2	124.2560	3.254	6	128.2396	19.168	17	128.5031	20.934	20	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	126.4325	0.639	2	126.4325	0.408	2	124.2560	3.254	6	128.2396	19.168	17	128.5031	20.934	20	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Pt)(C[6]C[6]N[6])	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]Pt)(C[6]C[6]N[6]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	129.6980	0.000	1	129.6980	0.000	1	129.6980	0.000	1	128.2396	19.168	17	128.5031	20.934	20	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]2)(C[5a]S[5a]H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]2)(C[5a]S[5a]H){1|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6a]C[5a]){1|B<4>,1|S<2>,3|H<1>,6|C<3>}	123.5690	0.000	1	123.5690	0.000	1	123.5690	0.000	1	128.2396	19.168	17	128.5031	20.934	20	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	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>}	128.7995	0.401	4	128.7995	0.161	4	128.7995	0.161	4	128.2396	19.168	17	128.5031	20.934	20	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6])(C[5a]N[5a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	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>}	127.1750	0.000	1	127.1750	0.000	1	127.1750	0.000	1	128.2396	19.168	17	128.5031	20.934	20	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6](C[5a]C[5a,6a]N[5a])(C[6]N[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]N[5a])(C[6]N[6]O)2{1|H<1>,2|C<4>,4|C<3>}	134.8320	0.351	2	134.8320	0.123	2	134.7245	0.061	4	128.2396	19.168	17	128.5031	20.934	20	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	C[6](C[5a]C[5a,6a]N[5a])(C[6]O[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(C[6]C[6]2){1|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[5a]C[5a,6a]N[5a])(C[6]O[6]O)2{1|C<4>,1|H<1>,3|C<3>}	134.6170	0.116	2	134.6170	0.013	2	134.7245	0.061	4	128.2396	19.168	17	128.5031	20.934	20	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:C[6]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-4:N[6]-2:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(N[6]N[6])	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(N[6]N[6]){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	126.0580	0.000	1	126.0580	0.000	1	126.0580	0.000	1	126.0580	0.000	1	128.5031	20.934	20	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6]C[6]2){2|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	126.4900	0.000	1	126.4900	0.000	1	126.4900	0.000	1	126.4900	0.000	1	128.5031	20.934	20	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:2:2:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-2:O[6]-2:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]N[6]O[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H)	C[6](C[5a]C[5a]S[5a])(N[6]N[6])(O[6]C[6])	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]N[6]O[6]){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]N[6])(O[6]C[6]){3|C<3>,4|H<1>}	123.9600	0.000	1	123.9600	0.000	1	123.9600	0.000	1	127.5900	9.883	3	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:2:2:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-2:N[6]-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6])(N[6]S[6])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6])(N[6]S[6]){1|H<1>,1|N<3>,3|C<3>}	129.4050	0.000	2	129.4050	0.000	2	129.4050	0.000	2	127.5900	9.883	3	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-2:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]O[5a]C[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(C[6]C[6])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]O[5a]C[6])(H){1|C<2>,1|N<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(C[6]C[6]){3|C<3>,3|H<1>}	132.5140	0.000	1	132.5140	0.000	1	132.5140	0.000	1	130.5200	4.865	5	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]O[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6])(O[6]C[6])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]O[6]){1|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6a]C[6])(O[6]C[6]){1|Br<1>,2|H<1>,6|C<3>}	132.7720	0.000	1	132.7720	0.000	1	132.7720	0.000	1	130.5200	4.865	5	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:S[6]-3:N[6]-2:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]N[6]S[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H)	C[6](C[5a]C[5a]S[5a])(S[6]C[6]O)(N[6]O[6])	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]N[6]S[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H){1|H<1>,1|N<2>,1|S<3>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(S[6]C[6]O)(N[6]O[6]){1|C<4>,2|C<3>,3|H<1>}	127.4460	0.000	1	127.4460	0.000	1	127.4460	0.000	1	130.5200	4.865	5	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:N[6]-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2){1|C<3>,1|S<2>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	130.3050	0.000	1	129.9340	0.275	2	129.9340	0.275	2	130.5200	4.865	5	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:2:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:N[6]-2:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2){1|C<3>,1|S<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,1|O<1>,4|C<3>}	129.5630	0.000	1	129.9340	0.275	2	129.9340	0.275	2	130.5200	4.865	5	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|C<4>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	128.4740	1.940	2	129.0017	1.201	6	129.0017	1.201	6	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	129.2655	0.685	4	129.0017	1.201	6	129.0017	1.201	6	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]O)2	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(H){1|C<4>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]N[6]O)2{1|N<3>,2|C<3>,3|H<1>}	130.8720	0.000	1	130.8720	0.000	1	129.5147	1.385	3	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	128.8360	0.081	2	128.8360	0.006	2	129.5147	1.385	3	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:I-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I){2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	132.5427	1.267	10	132.5427	1.604	10	132.5427	1.604	10	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	129.4665	1.928	2	129.4665	3.718	2	129.4665	3.718	2	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H){1|H<1>,4|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	132.6640	0.000	1	132.6640	0.000	1	133.1910	0.555	2	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]N[6]H)(C[6]N[6]O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H){1|H<1>,4|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]N[6]H)(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	133.7180	0.000	1	133.7180	0.000	1	133.1910	0.555	2	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	133.5670	0.000	1	133.5670	0.000	1	133.3465	0.097	2	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	133.1260	0.000	1	133.1260	0.000	1	133.3465	0.097	2	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H){1|H<1>,4|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	125.2820	0.000	1	125.2820	0.000	1	125.2820	0.000	1	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]Br)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|Br<1>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]Br)(H){1|H<1>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	128.4947	0.446	3	128.4947	0.199	3	128.4049	1.823	20	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]H)(C[6]N[6]H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|N<3>,4|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]H)(C[6]N[6]H){1|Cd<6>,1|H<1>,4|C<3>}	127.6363	1.269	4	127.6363	1.610	4	128.4049	1.823	20	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	125.0480	0.000	1	125.0480	0.000	1	128.4049	1.823	20	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	128.3480	0.000	1	128.9183	1.145	12	128.4049	1.823	20	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	130.6010	0.000	1	128.9183	1.145	12	128.4049	1.823	20	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	129.0156	1.478	5	128.9183	1.145	12	128.4049	1.823	20	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	128.5753	0.092	3	128.9183	1.145	12	128.4049	1.823	20	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:3:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){3|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	128.6335	0.349	2	128.9183	1.145	12	128.4049	1.823	20	129.8558	5.536	46	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:3:4:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-4:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6]H)(C[6]C[6]HH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	129.4900	0.000	1	129.4900	0.000	1	129.4900	0.000	1	129.4900	0.000	1	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:4:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(H){1|C<3>,2|C<4>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	128.4020	0.000	1	128.4020	0.000	1	129.0880	0.941	2	129.9307	5.947	6	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:4:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){3|C<4>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|C<3>,1|C<4>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	129.7740	0.000	1	129.7740	0.000	1	129.0880	0.941	2	129.9307	5.947	6	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:4:3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,5|H<1>}	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	133.3900	0.000	1	133.3900	0.000	1	132.8830	0.514	2	129.9307	5.947	6	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:4:3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(C[6]C[6]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(C[6]C[6]2){1|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C[6])(H){1|C<4>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	132.3760	0.000	1	132.3760	0.000	1	132.8830	0.514	2	129.9307	5.947	6	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:4:3:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[5,6]HH)(C[6]C[5,6]H)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]C[6]2){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[5,6]HH)(C[6]C[5,6]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	127.3080	0.000	1	127.3080	0.000	1	127.3080	0.000	1	129.9307	5.947	6	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:4:3:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,5|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	128.3340	0.000	1	128.3340	0.000	1	128.3340	0.000	1	129.9307	5.947	6	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:4:4:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(C[6]C[6]HH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,2|C<2>,4|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<4>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(C[6]C[6]HH){3|C<3>,4|H<1>}	124.5910	0.000	1	124.5910	0.000	1	124.5910	0.000	1	126.4480	6.897	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:1:	3:4:4:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:O-1:	C[5a]-3:C[6]-4:C[6]-4:	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a]H)(O)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(C[6]C[6]2){1|S<1>,2|C<4>,5|H<1>}	C[5a](C[5a]S[5a]C[6])(N[5a]C[5a]H)(O){1|S<1>,2|C<4>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	128.3050	0.000	1	128.3050	0.000	1	128.3050	0.000	1	126.4480	6.897	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:3:	3:2:2:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-2:C[6]-2:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){1|C<3>,5|C<2>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]2){1|C<3>,4|C<2>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2{1|C<2>,1|N<3>,2|C<3>}	113.9590	0.000	1	113.9590	0.000	1	113.9590	0.000	1	113.9590	0.000	1	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:C[6]-2:	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(C[6]C[6]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(C[6]C[6]2){1|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|C<2>,2|H<1>,6|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	130.0770	0.000	1	130.0770	0.000	1	130.0770	0.000	1	130.0770	0.000	1	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]O[5a]H)(CCC)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)2	C[5a](C[5a]C[5a]C)(N[5a]O[5a])(C[6]C[6]2){1|H<1>,2|C<2>,2|C<4>}	C[5a](C[5a]N[5a]C[6])(C[5a]O[5a]H)(CCC){2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)2{1|O<2>,3|C<3>}	127.2480	0.000	1	127.2480	0.000	1	127.2480	0.000	1	130.2394	3.656	8	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|N<3>,2|C<4>,3|C<3>}	130.4830	0.000	1	131.3193	0.579	4	131.3193	0.579	4	130.2394	3.656	8	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{2|C<3>,2|H<1>,2|N<3>}	131.5980	0.634	3	131.3193	0.579	4	131.3193	0.579	4	130.2394	3.656	8	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a]-3:N-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(NCuC)	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6]C[6]N[6]){1|Cu<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(NCuC){1|C<2>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	132.2180	0.000	1	132.2180	0.000	1	132.2180	0.000	1	130.2394	3.656	8	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:3:	3:3:3:	C[5a]-3:S[5a]-2:C[6]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|H<1>,3|C<3>}	128.5860	0.928	2	128.5860	0.861	2	128.5860	0.861	2	130.2394	3.656	8	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:2:3:	3:3:4:	3:4:3:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:P-4:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(C[6]C[6]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(PC[6a]2Cu)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CuH)(C[6]C[6]H)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(C[6]C[6]2){1|Cu<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(PC[6a]2Cu){1|C<4>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CuH)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	129.8050	0.000	1	129.8050	0.000	1	129.8050	0.000	1	129.8050	0.000	1	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:2:2:	3:2:2:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[6]-2:O[6]-2:	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]O[5a])(NN)	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a]){1|N<2>,1|O<2>}	C[5a](C[5a]N[5a]C[6])(N[5a]O[5a])(NN){1|N<2>,1|O<2>}	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|C<3>,1|O<2>,2|N<2>}	129.8237	0.959	6	130.1626	1.102	8	130.1626	1.102	8	130.1626	1.102	8	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:2:2:	3:2:2:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[6]-2:O[6]-2:	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]O[5a])(NN)	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a]){1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]C[6])(N[5a]O[5a])(NN){1|N<2>,1|O<2>}	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|Co<6>,1|C<3>,1|O<2>,2|N<2>}	131.1795	0.598	2	130.1626	1.102	8	130.1626	1.102	8	130.1626	1.102	8	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:2:3:	3:2:2:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[6]-2:O[6]-2:	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]O[5a])(NCH)	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a]){1|N<2>,1|O<2>}	C[5a](C[5a]N[5a]C[6])(N[5a]O[5a])(NCH){1|N<2>,1|O<2>}	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	128.4660	0.000	1	128.4660	0.000	1	128.8440	0.286	2	128.8440	0.286	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:2:3:	3:2:2:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[6]-2:O[6]-2:	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]O[5a])(NHN)	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a]){1|N<2>,1|O<2>}	C[5a](C[5a]N[5a]C[6])(N[5a]O[5a])(NHN){1|N<2>,1|O<2>}	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	129.2220	0.000	1	129.2220	0.000	1	128.8440	0.286	2	128.8440	0.286	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:2:3:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[6]-3:O[6]-2:	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]O[5a])(NCoN)	C[6](C[5a]C[5a]N[5a])(N[6]O[6]Co)(O[6]N[6])	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a]){1|Co<6>,1|N<2>,1|O<2>}	C[5a](C[5a]N[5a]C[6])(N[5a]O[5a])(NCoN){1|N<3>,1|O<2>}	C[6](C[5a]C[5a]N[5a])(N[6]O[6]Co)(O[6]N[6]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	129.2290	0.031	2	129.2290	0.001	2	129.2290	0.001	2	129.2290	0.001	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:2:2:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-2:O[6]-2:	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6])(O[6]B[6])	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|B<4>,1|C<3>,2|H<1>}	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<2>,1|O<2>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6])(O[6]B[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	124.1620	0.000	1	124.1620	0.000	1	124.1620	0.000	1	124.1620	0.000	1	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:2:3:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-2:C[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]N)(H)	C[6](C[5a]C[5a]S[5a])(N[6]N[5a,6])(C[6]S[6]C)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[5a]C[5a]S[5a])(N[6]N[5a,6])(C[6]S[6]C){1|H<1>,4|C<3>}	128.4600	0.000	1	128.4600	0.000	1	128.4600	0.000	1	126.2200	10.035	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:2:3:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:O[6]-2:C[6]-3:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]C[6]H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a]C[5a]S[5a])(O[6]C[6,6a])(C[6]C[6]H){2|H<1>,5|C<3>}	123.9800	0.000	1	123.9800	0.000	1	123.9800	0.000	1	126.2200	10.035	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]H)(O[6]C[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]H)(O[6]C[6]){1|H<1>,1|S<1>,4|C<3>}	133.2130	0.000	2	133.2130	0.000	2	132.6924	4.859	7	131.2101	10.515	12	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]Cl)(O[6]C[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]Cl)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	132.6350	5.151	2	132.6350	26.528	2	132.6924	4.859	7	131.2101	10.515	12	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|B<4>,1|C<3>,3|H<1>}	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	132.3837	0.946	3	132.3837	0.896	3	132.6924	4.859	7	131.2101	10.515	12	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:N[6]-2:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]){1|S<2>,2|H<1>,5|C<3>}	131.5050	1.558	2	131.5050	2.429	2	130.5967	2.282	4	131.2101	10.515	12	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:N[6]-2:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	129.6885	1.057	2	129.6885	1.118	2	130.5967	2.282	4	131.2101	10.515	12	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]S[6]S)(O[6]C[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a]C[5a]S[5a])(C[6]S[6]S)(O[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	123.2870	0.000	1	123.2870	0.000	1	123.2870	0.000	1	131.2101	10.515	12	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a]){2|C<3>,4|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	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>}	127.8960	1.504	5	127.8960	2.263	5	128.2033	2.377	6	128.8098	5.843	22	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)(H){1|C<3>,1|H<1>,1|N<3>}	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>}	129.7400	0.000	1	129.7400	0.000	1	128.2033	2.377	6	128.8098	5.843	22	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|Re<6>,1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C[6])(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	129.6730	0.000	1	129.6730	0.000	1	129.6730	0.000	1	128.8098	5.843	22	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]N[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]C)	C[5a](C[6]C[6]N[6])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){1|N<3>,3|C<3>}	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>}	127.9690	0.000	1	127.9690	0.000	1	127.9690	0.000	1	128.8098	5.843	22	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a])	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]O[5a]){1|B<4>,3|H<1>,6|C<3>}	134.0700	0.000	1	134.0700	0.000	1	134.0700	0.000	1	128.8098	5.843	22	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<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>}	132.7470	0.000	1	132.7470	0.000	1	132.7470	0.000	1	128.8098	5.843	22	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|Cu<4>,2|C<3>,3|H<1>}	C[5a](C[5a]O[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	133.8580	0.000	1	133.8580	0.000	1	133.8580	0.000	1	128.8098	5.843	22	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|Br<1>,2|C<3>}	C[6](C[5a,6]N[5a,6,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	128.0887	1.151	3	128.0887	1.326	3	128.5012	1.527	8	128.8098	5.843	22	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>,2|N<3>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|I<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	129.4140	0.000	1	128.7488	1.806	5	128.5012	1.527	8	128.8098	5.843	22	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	129.1140	0.000	1	128.7488	1.806	5	128.5012	1.527	8	128.8098	5.843	22	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|N<3>,3|C<3>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	127.2060	0.000	1	128.7488	1.806	5	128.5012	1.527	8	128.8098	5.843	22	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,1|H<1>,2|C<4>,6|C<3>}	130.4430	0.000	1	128.7488	1.806	5	128.5012	1.527	8	128.8098	5.843	22	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a])	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]S[5a]){1|B<4>,3|H<1>,6|C<3>}	127.5670	0.000	1	128.7488	1.806	5	128.5012	1.527	8	128.8098	5.843	22	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]H){1|H<1>,1|S<2>,5|C<3>}	125.8650	2.131	2	125.8650	4.542	2	125.8650	4.542	2	128.8098	5.843	22	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5a]-3:C[6]-3:	C[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)	C[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C){2|H<1>,7|C<3>}	126.5380	0.000	1	126.5380	0.000	1	126.5380	0.000	1	128.8098	5.843	22	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[5a]-3:C[6]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:H-1:	C[5,6]-3:C[5a]-3:C[6]-4:	C[5a](C[5a]C[5a,6a]H)(C[6]C[5,6]C[6])(O[5a]C[5a,6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H)	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)	C[5a](C[5a]C[5a,6a]H)(C[6]C[5,6]C[6])(O[5a]C[5a,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	134.8610	0.000	1	134.8610	0.000	1	134.8610	0.000	1	130.1740	43.936	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5,6]-3:C[5a]-3:C[6]-4:	C[5a](C[6]C[5,6]C[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH)	C[5a](C[6]C[5,6]C[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	125.4870	0.000	1	125.4870	0.000	1	125.4870	0.000	1	130.1740	43.936	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:4:2:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:N[6]-2:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(N[6]N[6])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<4>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(N[6]N[6]){1|C<4>,3|C<3>,3|H<1>}	131.6940	0.000	1	131.6940	0.000	1	128.9363	6.348	3	128.9363	6.348	3	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:1:	3:4:2:	C[6]-3:C[5a]-3:S[5a]-2:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:N[6]-2:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]S[6]HH)(N[6]N[6])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,1|N<2>,1|S<2>,3|H<1>}	C[5a](C[5a]S[5a]C[6])(C[5a]C[5a]H)(H){1|Cl<1>,1|C<4>,1|N<2>}	C[6](C[5a]C[5a]S[5a])(C[6]S[6]HH)(N[6]N[6]){1|H<1>,3|C<3>}	127.5575	1.135	2	127.5575	1.288	2	128.9363	6.348	3	128.9363	6.348	3	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a]){1|N<2>,3|H<1>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	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>}	133.4950	0.000	1	133.4950	0.000	1	133.4950	0.000	1	133.4950	0.000	1	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	2:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	O[6]-2:C[5a]-3:C[6]-3:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	C[6](O[6]C[5,6,6])(C[5a]C[5a]2)(C[6]C[6]H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){1|C<3>,1|O<2>,2|H<1>}	C[6](O[6]C[5,6,6])(C[5a]C[5a]2)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	125.8880	0.994	2	125.8880	0.988	2	125.8880	0.988	2	125.8880	0.988	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:2:2:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:N[6]-2:O[6]-2:	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H)	C[6](C[5a]C[5a]2)(N[6]C[6,6])(O[6]B[6])	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H){1|B<4>,1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H){1|N<2>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	125.0505	0.381	2	125.0505	0.145	2	125.0505	0.145	2	125.0505	0.145	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:2:4:	N[5a]-3:C[6]-3:C[5a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:N[6]-2:C[6]-4:	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O)	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O)	C[6](C[5a]C[5a]N[5a])(N[6]N[5a,6])(C[6]S[6]HH)	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O){1|C<3>,1|C<4>,1|N<2>}	C[6](C[5a]C[5a]N[5a])(N[6]N[5a,6])(C[6]S[6]HH){1|N<2>,1|O<1>,1|O<2>,3|C<3>}	127.0457	0.624	4	127.0457	0.389	4	127.0457	0.389	4	127.0457	0.389	4	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:2:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	C[6](C[5a]C[5a]2)(C[6]C[6,6]H)(O[6]C[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]2)(C[6]C[6,6]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	127.0180	0.000	1	127.0180	0.000	1	126.6285	0.414	4	125.9895	3.211	6	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:2:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H){1|B<4>,1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]B[6]){2|C<3>,2|F<1>,2|H<1>,2|O<2>}	126.4987	0.721	3	126.4987	0.520	3	126.6285	0.414	4	125.9895	3.211	6	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:2:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H)	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]C[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	122.4850	0.000	1	122.4850	0.000	1	122.4850	0.000	1	125.9895	3.211	6	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:2:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[6,6]-3:C[5a]-3:O[6]-2:	C[5a](C[6]C[6,6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H)	C[6](C[6,6]C[6,6]O[6])(C[5a]C[5a]2)(O[6]C[6,6a])	C[5a](C[6]C[6,6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[5a]C[5a]2)(O[6]C[6,6a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	126.9380	0.000	1	126.9380	0.000	1	126.9380	0.000	1	125.9895	3.211	6	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]2)(C[5a]S[5a]H)	C[5a](C[5a]C[5a,6a]C[6])(S[5a]C[5a,6a])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]2)(C[5a]S[5a]H){1|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6])(S[5a]C[5a,6a])(H){4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6a]C[5a]){1|B<4>,1|S<2>,3|H<1>,6|C<3>}	124.0560	0.000	1	124.0560	0.000	1	124.0560	0.000	1	124.8566	2.279	5	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[5a]-3:C[6]-3:C[5a]-3:	C[5a]-3:S[5a]-2:Br-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a]S[5a]Br)(C[6]C[5a,6]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(Br)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Br)(C[6]C[5a,6]2)(C[5a]C[5a]H){1|Br<1>,2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(Br){1|Br<1>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|Br<1>,1|B<4>,1|S<2>,3|H<1>,5|C<3>}	125.5940	0.000	1	125.5940	0.000	1	125.5940	0.000	1	124.8566	2.279	5	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|O<2>,4|H<1>,5|C<3>}	127.1590	0.000	1	127.1590	0.000	1	127.1590	0.000	1	124.8566	2.279	5	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H){2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|S<2>,4|H<1>,5|C<3>}	123.9860	0.000	1	123.9860	0.000	1	123.9860	0.000	1	124.8566	2.279	5	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:H-1:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(H){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2){1|S<2>,1|S<4>,3|H<1>,6|C<3>}	123.4880	0.000	1	123.4880	0.000	1	123.4880	0.000	1	124.8566	2.279	5	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:4:2:	N[5a]-3:C[6]-3:C[5a]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6]-4:N[6]-2:	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O)	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O)	C[6](C[5a]C[5a]N[5a])(C[6]S[6]HH)(N[6]N[6])	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O){1|C<3>,1|C<4>,1|N<2>}	C[6](C[5a]C[5a]N[5a])(C[6]S[6]HH)(N[6]N[6]){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	128.0548	1.394	4	128.0548	1.943	4	128.0548	1.943	4	128.0548	1.943	4	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	3:4:3:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:O[5a]-2:O-1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O){1|C<4>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|O<1>}	126.6830	0.000	1	126.6830	0.000	1	126.6830	0.000	1	126.6830	0.000	1	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:1:	4:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:O[5a]-2:H-1:	C[6]-4:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[6]C[6]2){2|C<4>,4|H<1>}	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	127.6560	0.000	1	127.6560	0.000	1	127.6560	0.000	1	127.6560	0.000	1	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:3:	3:2:2:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-2:C[6]-2:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]2){1|C<3>,4|C<2>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){1|C<3>,5|C<2>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6])2{1|N<2>,2|C<2>,2|C<3>}	114.3170	0.000	1	114.3170	0.000	1	114.3170	0.000	1	114.3170	0.000	1	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[6]-3:C[5a]-3:	C[5a]-3:S[5a]-2:Se-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a]S[5a]Se)(C[6]C[5a,6]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(SeC[6a]O)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Se)(C[6]C[5a,6]2)(C[5a]C[5a]H){1|Br<1>,2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(SeC[6a]O){1|Br<1>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|Se<3>,1|B<4>,1|H<1>,1|S<2>,2|C<4>,5|C<3>}	122.9960	0.000	1	122.9960	0.000	1	122.9960	0.000	1	132.5996	29.312	5	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	134.8390	0.000	1	135.0005	0.653	4	135.0005	0.653	4	132.5996	29.312	5	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]2){3|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	135.0543	0.981	3	135.0005	0.653	4	135.0005	0.653	4	132.5996	29.312	5	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:4:	3:2:2:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[6]-2:N[6]-2:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6]N[6]2)	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CCHH)	C[6](C[5a]C[5a]2)(N[6]C[6,6a])(N[6]C[6])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6]N[6]2){1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CCHH){1|C<4>,1|N<3>,2|N<2>}	C[6](C[5a]C[5a]2)(N[6]C[6,6a])(N[6]C[6]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	131.2800	0.000	1	131.2800	0.000	1	131.2800	0.000	1	131.2800	0.000	1	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:S[5a]-2:C-4:	C[6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3)	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O){1|H<1>,1|O<1>,1|S<2>,2|C<4>,4|C<3>}	123.6935	1.283	2	123.6935	1.647	2	123.6935	1.647	2	125.6390	10.924	7	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:S[5a]-2:C-4:	C[6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3)	C[6](C[6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2){1|O<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6])(S[5a]C[5a])(CH3){1|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,5|C<3>}	125.0645	2.359	4	125.0645	5.567	4	125.0645	5.567	4	125.6390	10.924	7	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:4:	3:3:3:	C[5a]-3:C[6]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	N[6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a]Ru)(C[6]C[6]N[6])(C[5a]O[5a]C)	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3)	C[6](N[6]C[6,6]Ru)(C[5a]C[5a]2)(C[6]C[6]H)	C[5a](C[5a]C[5a]Ru)(C[6]C[6]N[6])(C[5a]O[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6,6]Ru)(C[5a]C[5a]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	131.8280	0.000	1	131.8280	0.000	1	131.8280	0.000	1	125.6390	10.924	7	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:4:	3:4:2:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6]-4:N[6]-2:	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]N[5a,6a])(CCCH)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(N[6]N[6])	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6])(N[5a]N[5a,6a])(CCCH){1|C<4>,1|N<2>,2|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(N[6]N[6]){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	128.8950	0.000	1	128.8950	0.000	1	128.8950	0.000	1	128.8950	0.000	1	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:2:4:	3:4:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a,6a]C[6])(O[5a]C[5a,6a])(CCCH)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(C[6]C[6]2){2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6])(O[5a]C[5a,6a])(CCCH){1|C<4>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	128.0750	0.000	1	128.0750	0.000	1	128.0750	0.000	1	128.0750	0.000	1	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	2:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	O[6]-2:C[5a]-3:C[6]-3:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]H)(H)	C[6](O[6]C[5,6,6])(C[5a]C[5a]2)(C[6]C[6]H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H){2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](O[6]C[5,6,6])(C[5a]C[5a]2)(C[6]C[6]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	128.4330	0.673	2	128.4330	0.453	2	128.4330	0.453	2	128.4330	0.453	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-2:O[6]-2:	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H)	C[6](C[5a]C[5a]2)(N[6]C[6,6])(O[6]B[6])	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H){1|B<4>,1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H){1|H<1>,1|N<2>,1|O<2>}	C[6](C[5a]C[5a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	122.7125	0.436	2	122.7125	0.190	2	122.7125	0.190	2	122.7125	0.190	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:O[6]-2:C[6]-3:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	131.6915	1.057	2	131.0740	0.604	8	131.0740	0.604	8	131.0740	0.604	8	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:O[6]-2:C[6]-3:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	130.8682	0.647	6	131.0740	0.604	8	131.0740	0.604	8	131.0740	0.604	8	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6]C[6]O[6])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[6]C[6]O[6]){1|B<4>,1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C[6])(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	127.8730	0.325	2	127.8730	0.106	2	127.8730	0.106	2	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]H)(H)	C[6](C[5a]C[5a]2)(C[6]C[6,6]H)(O[6]C[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a]C[5a]2)(C[6]C[6,6]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	126.6610	0.000	1	126.6610	0.000	1	126.8728	1.924	5	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]H)(H)	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]O[5a]H){1|B<4>,1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]B[6]){2|C<3>,2|F<1>,2|H<1>,2|O<2>}	127.6367	0.888	3	127.6367	0.788	3	126.8728	1.924	5	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H)	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]C[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	124.7930	0.000	1	124.7930	0.000	1	126.8728	1.924	5	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[6,6]-3:C[5a]-3:O[6]-2:	C[5a](C[6]C[6,6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H)	C[6](C[6,6]C[6,6]O[6])(C[5a]C[5a]2)(O[6]C[6,6a])	C[5a](C[6]C[6,6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[5a]C[5a]2)(O[6]C[6,6a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	123.1330	0.000	1	123.1330	0.000	1	123.1330	0.000	1	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:F-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]F)(F)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|F<1>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]F)(F){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,3|C<3>,3|F<1>}	131.1387	0.901	7	130.9081	0.784	10	130.9081	0.784	10	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:F-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]F)(F)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]F)(N[5a]C[5a]H){1|B<4>,1|F<1>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]F)(F){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,3|C<3>,3|F<1>}	130.3700	0.687	3	130.9081	0.784	10	130.9081	0.784	10	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,1|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	127.7740	0.000	1	127.1780	0.215	4	131.6271	7.219	45	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|B<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	126.9793	0.292	3	127.1780	0.215	4	131.6271	7.219	45	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	131.4676	1.000	11	130.9197	1.155	32	131.6271	7.219	45	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	130.4950	0.000	1	130.9197	1.155	32	131.6271	7.219	45	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	129.9987	0.895	7	130.9197	1.155	32	131.6271	7.219	45	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	131.1545	0.600	2	130.9197	1.155	32	131.6271	7.219	45	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	131.4204	0.697	7	130.9197	1.155	32	131.6271	7.219	45	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	130.1375	1.156	4	130.9197	1.155	32	131.6271	7.219	45	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	136.2847	0.814	3	136.1194	0.547	9	131.6271	7.219	45	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	136.0368	0.765	6	136.1194	0.547	9	131.6271	7.219	45	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a](C[6]C[5a,6]O[6])(N[5a]C[5a]Zn)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(O[6]C[6])	C[5a](C[6]C[5a,6]O[6])(N[5a]C[5a]Zn)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|Zn<5>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(O[6]C[6]){1|Zn<5>,1|H<1>,6|C<3>}	127.0530	0.721	2	127.0530	0.520	2	127.0530	0.520	2	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a](C[6]C[5a,6]S[6])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(S[6]C[6,6])	C[5a](C[6]C[5a,6]S[6])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|Ni<4>,1|S<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(S[6]C[6,6]){1|Ni<4>,1|H<1>,1|N<3>,5|C<3>}	123.2600	0.000	1	123.2600	0.000	1	123.2600	0.000	1	130.6501	9.237	66	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(C[6]C[5a,6]2)	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5,5a]C[5a])	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]H)(C[6]C[5a,6]2){1|Ga<4>,3|N<3>,4|C<3>}	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]C[6])(H){1|Ga<4>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5,5a]C[5a]){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	126.6360	0.000	1	126.6360	0.000	1	126.6360	0.000	1	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5,5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]2)	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6]C[5a])	C[5a](C[5a,6]N[5,5a,6]C[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]2){1|Ga<4>,2|N<3>,5|C<3>}	C[5a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a]C[5a,6]C[6])(H){1|Ga<4>,1|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a,6]C[5a]){1|B<4>,1|H<1>,1|N<3>,2|C<4>,6|C<3>}	126.9640	0.000	1	126.9640	0.000	1	126.9640	0.000	1	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2)	C[5a](C[5a]C[5a,6]C[6])(C[5a]N[5a,6]C[6])(Br)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6])(C[5a]N[5a,6]C[6])(Br){1|B<4>,1|N<2>,4|C<3>}	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	130.2350	0.000	1	130.2350	0.000	1	130.3265	0.017	2	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2)	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6])(Br)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]Br)(C[6]C[6]2){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6])(Br){1|B<4>,1|N<2>,4|C<3>}	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	130.4180	0.000	1	130.4180	0.000	1	130.3265	0.017	2	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	126.6840	1.223	2	126.6840	1.496	2	126.6840	1.496	2	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|N<3>,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>}	125.1020	0.605	4	125.1020	0.366	4	125.1020	0.366	4	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	C[6,6a]-3:C[5a]-3:N[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6])(C[5a]N[5a]H)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6])(C[5a]N[5a]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(H){1|N<3>,3|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>}	125.6250	0.000	1	125.6250	0.000	1	125.6250	0.000	1	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6]C[5a,6]2)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6]C[5a,6]2){1|B<4>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,2|C<4>,2|H<1>,5|C<3>}	128.6200	0.000	1	126.9280	5.726	2	126.9280	5.726	2	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6]C[5a,6]2)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6]C[5a,6]2){1|B<4>,2|N<3>,3|C<3>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,4|H<1>,5|C<3>}	125.2360	0.000	1	126.9280	5.726	2	126.9280	5.726	2	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C[6])(H)	C[6](C[5a]C[5a]2)(C[6]C[6]O)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6]C[6]2){1|Ni<4>,1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C[6])(H){1|Ni<4>,1|N<3>,4|C<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]O)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	125.0960	0.000	1	125.0960	0.000	1	125.0960	0.000	1	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[6]-3:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H)	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O){1|H<1>,1|O<1>,1|S<2>,2|C<4>,4|C<3>}	123.3220	1.112	2	123.3220	1.236	2	123.3220	1.236	2	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[6]-3:C[6]-3:C[5a]-3:	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(C[6]C[6]2){1|O<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]C)(H){1|C<4>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,5|C<3>}	122.6112	2.270	4	122.6112	5.155	4	122.6112	5.155	4	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6]C[5a,6]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6]C[5a,6]2){1|B<4>,2|N<3>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,2|C<4>,2|H<1>,5|C<3>}	124.7490	0.000	1	126.5545	6.520	2	126.5545	6.520	2	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6]C[5a,6]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]H)(C[5a]N[5a,6]H)(C[6]C[5a,6]2){1|B<4>,2|N<3>,3|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,4|H<1>,5|C<3>}	128.3600	0.000	1	126.5545	6.520	2	126.5545	6.520	2	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a]S[5a]Br)(C[6]C[5a,6]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Br)(C[6]C[5a,6]2)(C[5a]C[5a]H){1|Br<1>,2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]Br)(H){1|Br<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|Br<1>,1|B<4>,1|S<2>,3|H<1>,5|C<3>}	123.6370	0.000	1	123.6370	0.000	1	124.1530	0.533	2	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a]S[5a]Se)(C[6]C[5a,6]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]Br)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a](C[5a]S[5a]Se)(C[6]C[5a,6]2)(C[5a]C[5a]H){1|Br<1>,2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]Br)(H){1|Se<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|Se<3>,1|B<4>,1|H<1>,1|S<2>,2|C<4>,5|C<3>}	124.6690	0.000	1	124.6690	0.000	1	124.1530	0.533	2	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:Cl-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[5a]Cl)(C[6]C[6]N[6])(N[5a]C[5a]Ru)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Cl)(Cl)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H)	C[5a](C[5a]C[5a]Cl)(C[6]C[6]N[6])(N[5a]C[5a]Ru){1|Cl<1>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Cl)(Cl){1|Ru<8>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H){1|Cl<1>,2|H<1>,3|C<3>}	139.7025	0.173	2	139.7025	0.030	2	139.7025	0.030	2	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[6]C[6]2){2|C<3>,4|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	126.8360	0.000	1	126.8360	0.000	1	129.1790	2.462	8	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	130.5068	0.450	4	129.5913	2.141	6	129.1790	2.462	8	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	127.6150	0.000	1	129.5913	2.141	6	129.1790	2.462	8	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	127.9060	0.000	1	129.5913	2.141	6	129.1790	2.462	8	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[6]C[6]2){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|H<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	129.0480	0.000	1	129.0480	0.000	1	129.1790	2.462	8	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5a]-3:C[6]-3:	N[5,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a]C)(C[6]C[6]2)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]N[5,5a]H)(N[5a]C[5,5a]C)(C[6]C[6]2){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C[6])(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	127.9430	0.000	1	127.9430	0.000	1	127.9430	0.000	1	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(C[5a]O[5a]H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|O<2>,4|H<1>,5|C<3>}	126.0430	0.000	1	126.0430	0.000	1	125.2120	1.381	2	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|S<2>,4|H<1>,5|C<3>}	124.3810	0.000	1	124.3810	0.000	1	125.2120	1.381	2	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6])(C[5a]S[5a]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2){1|S<2>,1|S<4>,3|H<1>,6|C<3>}	124.5150	0.000	1	124.5150	0.000	1	124.5150	0.000	1	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a]C[5a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Cu<4>,1|Pd<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)(H){1|Cu<4>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	127.3040	0.232	2	127.4117	0.062	3	126.9682	0.763	6	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a]C[5a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Pd<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	127.6270	0.000	1	127.4117	0.062	3	126.9682	0.763	6	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a]C[5a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Ni<4>,1|Pt<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)(H){1|Ni<4>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	126.5247	1.121	3	126.5247	1.257	3	126.9682	0.763	6	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a])	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a]){1|B<4>,1|C<4>,3|H<1>,6|C<3>}	127.6660	0.000	1	127.6660	0.000	1	128.5815	1.676	2	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a])	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]N[5a]){1|B<4>,4|H<1>,6|C<3>}	129.4970	0.000	1	129.4970	0.000	1	128.5815	1.676	2	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	128.2687	0.474	3	128.2687	0.224	3	128.2687	0.224	3	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]C){1|Cu<4>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	128.6340	0.000	1	128.6340	0.000	1	128.6340	0.000	1	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5a]-3:	C[5a](C[6]C[6,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a])	C[5a](C[6]C[6,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a]){1|C<4>,1|F<1>,1|O<2>,2|H<1>,6|C<3>}	129.9970	0.000	1	129.9310	0.033	3	129.9310	0.033	3	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[5,6]-3:C[5a]-3:	C[5a](C[6]C[6,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a])	C[5a](C[6]C[6,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a]){1|C<4>,1|F<1>,1|O<2>,3|H<1>,5|C<3>}	129.8980	0.243	2	129.9310	0.033	3	129.9310	0.033	3	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[6]C[5a,6]C[6,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[6]C[5a,6]C[6,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|Ni<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,1|N<3>,2|H<1>,6|C<3>}	125.5380	0.000	1	126.3732	0.249	6	126.3732	0.249	6	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a](C[6]C[5a,6]C[6,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[6]C[5a,6]C[6,6a])(N[5a]C[5a]Ni)(C[5a]C[5a]H){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|Ni<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,2|H<1>,7|C<3>}	126.5402	0.320	5	126.3732	0.249	6	126.3732	0.249	6	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Al)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Al)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Al)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|Al<4>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Al)(C[6]C[6]H){2|H<1>,4|C<3>}	133.6930	0.000	1	133.6930	0.000	1	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]H){1|Cu<5>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|Cu<5>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<5>,3|C<3>,3|H<1>}	126.5690	0.952	2	128.2933	11.840	4	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|Cu<5>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	130.0175	4.767	2	128.2933	11.840	4	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|Pd<4>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	142.3290	0.000	1	142.3890	0.140	3	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|Pd<5>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	142.4190	0.525	2	142.3890	0.140	3	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pt)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pt)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|Pt<4>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	143.0720	0.000	1	143.0720	0.000	1	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ru)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ru)(C[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|Ru<5>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	133.0448	0.543	4	133.0448	0.295	4	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ru)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ru)(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|Ru<8>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	140.2534	0.761	10	140.2534	0.579	10	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Zn)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Zn)(C[5a]C[5a]H){2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	132.3980	0.000	1	132.3980	0.000	1	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Cu<3>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	133.0090	0.000	1	133.7400	1.991	4	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Cu<4>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	133.0495	0.152	2	133.7400	1.991	4	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Cu<5>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	135.8520	0.000	1	133.7400	1.991	4	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Cu)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|Cu<5>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	133.7870	0.633	4	133.7870	0.401	4	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|Fe<5>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	132.5690	0.000	1	132.8100	0.116	2	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Fe)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|Fe<6>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	133.0510	0.000	1	132.8100	0.116	2	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	134.0680	0.000	1	134.0680	0.000	1	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	134.3500	0.000	1	133.7326	0.356	7	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	133.6297	0.582	6	133.7326	0.356	7	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|Ir<6>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	134.8310	0.000	1	134.8310	0.000	1	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ir)(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]N)(H){1|Ir<6>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	133.1250	0.000	1	133.1250	0.000	1	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Mn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|Mn<6>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Mn)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	134.8080	0.000	1	134.8080	0.000	1	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Os<6>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	133.7480	0.072	2	134.6466	0.572	8	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Os<6>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	134.4430	0.772	2	134.6466	0.572	8	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Os<6>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	135.1978	0.403	4	134.6466	0.572	8	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|Os<6>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	135.5880	0.000	1	134.8180	0.580	5	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Os)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|Os<7>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	134.6255	0.726	4	134.8180	0.580	5	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Pd<4>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	133.5143	0.393	3	133.5143	0.155	3	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pd)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|Pd<4>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	135.1210	0.000	1	135.1210	0.000	1	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Pt<4>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	135.3405	0.482	2	135.7022	0.603	10	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Pt<4>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	136.2763	0.921	3	135.7022	0.603	10	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|Pt<4>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	135.5024	0.716	5	135.7022	0.603	10	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|Pt<4>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	134.5573	0.590	3	134.6036	0.199	5	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Pt)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|Pt<4>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	134.6730	0.288	2	134.6036	0.199	5	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Ru)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]N[5a]H)(H){1|Ru<6>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	134.6220	0.000	1	134.6220	0.000	1	135.1858	10.666	78	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:Br-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6]C[6]2)	C[5a](C[5a]C[5a,6]C[6])(C[5a]N[5a,6]C[6])(Br)	C[6](C[5a]N[5a,6]C[5a])(C[6]C[6]H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(C[6]C[6]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6])(C[5a]N[5a,6]C[6])(Br){1|B<4>,1|N<2>,4|C<3>}	C[6](C[5a]N[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|B<4>,1|C<2>,2|C<3>,2|H<1>}	126.6380	0.000	1	126.6380	0.000	1	126.6380	0.000	1	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a,5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6]C[6]2)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6]C[6]2){2|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]C[6])(H){6|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){3|H<1>,4|C<3>}	126.4200	0.508	4	126.4200	0.259	4	126.4200	0.259	4	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Cu)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]Cu)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Cu)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	130.2820	0.000	1	130.2820	0.000	1	131.4879	3.813	15	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Cu)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Cu)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	129.3485	0.954	2	129.3485	0.910	2	131.4879	3.813	15	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Ir)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Ir)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Ir<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	131.7590	0.000	1	131.6357	0.074	3	131.4879	3.813	15	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Ir)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Ir)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	131.5740	0.355	2	131.6357	0.074	3	131.4879	3.813	15	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Pd)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Pd)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	132.6925	0.651	2	132.6925	0.424	2	131.4879	3.813	15	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Pt<4>,1|F<1>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	129.7880	0.181	2	131.8639	6.222	7	131.4879	3.813	15	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	132.3980	3.961	2	131.8639	6.222	7	131.4879	3.813	15	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	131.7485	1.186	2	131.8639	6.222	7	131.4879	3.813	15	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](N[5a]C[5a,6a]Pt)(C[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(H){1|Pt<5>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	135.1780	0.000	1	131.8639	6.222	7	131.4879	3.813	15	131.5694	24.124	157	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-3:C[6]-4:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	127.2700	0.000	1	127.2700	0.000	1	127.2700	0.000	1	127.2700	0.000	1	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[6]C[6]2){1|C<3>,1|C<4>,5|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	130.3140	0.000	1	130.3140	0.000	1	130.3140	0.000	1	130.0840	0.040	3	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	3:4:3:	N[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(C[6]C[6]2){3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(H){1|Pt<5>,1|C<4>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|Pt<5>,3|C<3>,3|H<1>}	129.9690	0.000	2	129.9690	0.000	2	129.9690	0.000	2	130.0840	0.040	3	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:H-1:	C[6]-4:C[5a]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]H)(H)	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(C[6]C[6]H)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]H)(C[6]C[6]2){2|C<4>,4|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]O[5a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]HH)(C[5a]C[5a]2)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	127.6590	0.000	1	127.6590	0.000	1	127.6590	0.000	1	127.6590	0.000	1	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:O-2:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]O)(OC)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]O)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]O)(OC){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,2|F<1>,2|O<2>,3|C<3>}	131.2495	0.571	2	131.2495	0.326	2	131.2495	0.326	2	131.2495	0.326	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]N[5a]Ir)	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]N[5a]Ir){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|Ir<6>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<2>}	136.0390	0.000	1	136.0390	0.000	1	136.0390	0.000	1	134.8757	3.684	4	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:C[6]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a]Ir)	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a])	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a]Ir){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]C[6])(N[5a]C[5a]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	136.3120	0.000	1	136.3120	0.000	1	136.3120	0.000	1	134.8757	3.684	4	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(C[6]C[6]2){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	133.5760	2.063	2	133.5760	4.257	2	133.5760	4.257	2	134.8757	3.684	4	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:N[6]-2:N[6]-2:	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6]N[6]2)	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a]C)(NHH)	C[6](C[5a]C[5a]2)(N[6]C[6,6a])(N[6]C[6])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6]N[6]2){1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a]C)(NHH){1|C<4>,2|N<2>}	C[6](C[5a]C[5a]2)(N[6]C[6,6a])(N[6]C[6]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	124.4670	0.000	1	124.4670	0.000	1	124.4670	0.000	1	124.4670	0.000	1	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|O<2>,3|H<1>,6|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	133.3703	2.282	3	134.1208	3.226	6	133.3162	2.944	12	133.3162	2.944	12	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|O<2>,4|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	134.8713	1.080	3	134.1208	3.226	6	133.3162	2.944	12	133.3162	2.944	12	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	133.3995	0.511	2	133.3995	0.261	2	133.3162	2.944	12	133.3162	2.944	12	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]I)(C[6a]C[6a]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]O[6])(N[5a]C[5a]H){1|B<4>,1|H<1>,1|I<1>,4|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]I)(C[6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	132.0677	1.398	4	132.0677	1.955	4	133.3162	2.944	12	133.3162	2.944	12	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6]C[6]N[6])	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6])(C[6a]C[6a]2)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)(N[6]C[6]B)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6]C[6]N[6]){1|B<4>,2|H<1>,7|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6])(C[6a]C[6a]2){1|B<4>,1|H<1>,1|N<3>,7|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>}	128.9670	1.113	2	128.9670	1.239	2	128.9670	1.239	2	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[6]C[6]2){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	129.5510	0.000	1	129.5510	0.000	1	129.5510	0.000	1	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6]C[5a,6]2)	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6]C[5a,6]2){1|B<4>,1|N<2>,2|N<3>,6|C<3>}	C[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,2|H<1>,7|C<3>}	125.9090	0.000	1	125.9090	0.000	1	125.9090	0.000	1	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6]C[6]N[6])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6]C[6]N[6])	C[6](C[5a]C[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6]C[6]N[6]){1|Co<4>,1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6]C[6]N[6]){1|Co<4>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[5a]C[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	127.5915	0.494	2	127.5915	0.244	2	127.5915	0.244	2	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6]C[6]N[6])	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H)	C[6](C[5a]C[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6]C[6]N[6]){1|Co<4>,1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]C[5a]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	124.3920	0.311	2	124.3920	0.097	2	124.3920	0.097	2	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C[6](C[5a]C[5a]2)(C[6]C[6]O)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(C[6]C[6]2){1|Ni<4>,1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|H<1>,3|C<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]O)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	127.5890	0.000	1	127.5890	0.000	1	127.5890	0.000	1	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6]C[5a,6]2)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6]C[5a,6]2){1|B<4>,1|N<2>,2|N<3>,6|C<3>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[5a]C[5a]2){1|B<4>,1|N<3>,2|H<1>,7|C<3>}	126.0020	0.000	1	126.0020	0.000	1	126.0020	0.000	1	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Ir)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Ir){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ir<6>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	133.1185	0.301	2	133.1185	0.090	2	134.4020	1.637	29	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Ni)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Ni){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Ni<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,5|C<3>}	136.6070	1.041	3	136.6070	1.084	3	134.4020	1.637	29	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Pt)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Pt){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	132.5130	0.000	1	133.5418	2.325	5	134.4020	1.637	29	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Pt)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Pt){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Pt<5>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	133.7990	1.630	4	133.5418	2.325	5	134.4020	1.637	29	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Rh)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Rh)(C[6]C[6]H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Rh){2|H<1>,5|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Rh<6>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	131.8640	0.000	1	131.8640	0.000	1	134.4020	1.637	29	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Sn)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Sn)(C[6]C[6]H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Sn){1|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|Sn<3>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Sn)(C[6]C[6]H){2|H<1>,4|C<3>}	134.5472	0.597	14	134.5571	0.343	18	134.4020	1.637	29	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Sn)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Sn)(C[6]C[6]H)	C[5a](C[5a]C[5a]C[6a])(C[6]C[6]N[6])(N[5a]C[5a]Sn){1|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]2){1|Sn<4>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Sn)(C[6]C[6]H){2|H<1>,4|C<3>}	134.5917	0.634	4	134.5571	0.343	18	134.4020	1.637	29	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C[6])	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C[6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C[6]){1|H<1>,2|N<3>,7|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,5|C<3>}	125.1190	0.000	1	125.1190	0.000	1	125.1190	0.000	1	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a]C)(C[6]C[6]2)	C[5a](C[5a]N[5a]C[6])(C[5a]O[5a]O)(C[6a]C[6a]2)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]O[5a]C)(C[6]C[6]2){1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]O[5a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	128.2870	0.000	1	128.2870	0.000	1	128.2870	0.000	1	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]Cu)(CC[5a]Pd)	C[6](C[5a]C[5a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Cu<4>,1|Pd<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]Cu)(CC[5a]Pd){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	124.3270	0.049	2	124.3270	0.002	2	125.0630	2.247	6	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(CC[5]Pd)	C[6](C[5a]C[5a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Pd<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(CC[5]Pd){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	124.4730	0.000	1	124.4730	0.000	1	125.0630	2.247	6	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-3:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]Ni)(CC[5a]Pt)	C[6](C[5a]C[5a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Ni<4>,1|Pt<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]Ni)(CC[5a]Pt){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	125.7503	2.047	3	125.7503	4.192	3	125.0630	2.247	6	131.3276	17.960	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:C[5a]-3:C-3:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)(CCO)	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6]C[6]2){3|C<4>,4|H<1>}	C[5a](C[5a]C[5a]C[6])(C[5a]N[5a]C)(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	128.8500	0.000	1	128.8500	0.000	1	128.8500	0.000	1	126.9445	7.262	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-3:N-3:	C[5a]-3:C[6]-4:C[6]-3:	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6]C[6]2)	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(NCS)	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]N)(C[6]C[6]2){3|C<4>,4|H<1>}	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(NCS){2|C<3>,2|C<4>}	C[6](C[5a]C[5a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	125.0390	0.000	1	125.0390	0.000	1	125.0390	0.000	1	126.9445	7.262	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:2:3:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:O[6]-2:C[6]-3:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	133.7238	0.682	14	133.7238	0.465	14	133.7238	0.465	14	133.7238	0.465	14	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a](C[6]C[5a,6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a])	C[5a](C[6]C[5a,6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a]){1|B<4>,1|C<4>,1|H<1>,1|N<3>,5|C<3>}	128.8420	0.000	1	128.8420	0.000	1	128.8420	0.000	1	133.1369	2.986	53	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:N[6]-2:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	132.7230	0.000	1	132.7230	0.000	1	133.0875	0.266	2	133.1369	2.986	53	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:N[6]-2:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]O)(N[6]C[6])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]O)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	133.4520	0.000	1	133.4520	0.000	1	133.0875	0.266	2	133.1369	2.986	53	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	132.9130	0.345	2	132.9130	0.119	2	133.2248	2.779	50	133.1369	2.986	53	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	130.7613	0.394	4	133.2059	3.138	44	133.2248	2.779	50	133.1369	2.986	53	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	133.1509	1.889	10	133.2059	3.138	44	133.2248	2.779	50	133.1369	2.986	53	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	130.1715	0.540	2	133.2059	3.138	44	133.2248	2.779	50	133.1369	2.986	53	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	133.4966	1.461	5	133.2059	3.138	44	133.2248	2.779	50	133.1369	2.986	53	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	134.3830	0.956	2	133.2059	3.138	44	133.2248	2.779	50	133.1369	2.986	53	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	134.0874	0.845	17	133.2059	3.138	44	133.2248	2.779	50	133.1369	2.986	53	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	132.6075	2.645	4	133.2059	3.138	44	133.2248	2.779	50	133.1369	2.986	53	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:O[6]-2:	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[5a](C[6]C[6]O[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CH3){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	133.5880	0.361	4	133.5880	0.130	4	133.2248	2.779	50	133.1369	2.986	53	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CC3)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CC3){4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	130.2475	0.351	2	130.2475	0.124	2	129.8587	0.515	3	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a]-3:C[6]-3:	C[5a]-3:N[5a]-3:C-4:	C[5a]-3:C[6]-3:C[6]-3:	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CC[6a]HH)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)(C[6]C[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(C[6]C[6]2){1|O<1>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(CC[6a]HH){4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	129.0810	0.000	1	129.0810	0.000	1	129.8587	0.515	3	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3)	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])(CH3){1|N<3>,2|H<1>,3|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>}	128.4780	0.000	1	128.4780	0.000	1	128.4780	0.000	1	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:C[6]-3:N[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	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>}	132.6530	0.000	1	132.6530	0.000	1	132.6530	0.000	1	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	131.8610	0.000	1	131.8610	0.000	1	132.3043	1.750	3	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Fe<4>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	133.7920	0.000	1	133.7920	0.000	1	132.3043	1.750	3	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	131.2600	0.000	1	131.2600	0.000	1	132.3043	1.750	3	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ag)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ag)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ag)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Ag<3>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ag)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	132.1720	0.000	1	132.1720	0.000	1	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Co)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Co)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Co)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3){1|Co<4>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	137.7645	2.944	2	137.7645	8.665	2	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Cu<3>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	134.0860	0.000	1	133.3370	1.122	2	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Cu)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Cu<4>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	132.5880	0.000	1	133.3370	1.122	2	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CC3){1|Fe<4>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	133.9445	0.402	2	133.9445	0.162	2	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Fe)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	133.6285	0.045	2	133.6285	0.002	2	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]Br)(CF3){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	134.6840	0.000	1	134.6840	0.000	1	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	134.3330	0.117	2	134.3330	0.014	2	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	134.8505	0.036	2	132.2027	3.787	7	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	131.7810	0.000	1	132.2027	3.787	7	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Ni)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	130.9843	0.928	4	132.2027	3.787	7	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]O)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C){1|C<4>,1|O<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CCHH){1|Pd<4>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>}	140.0920	0.000	1	140.0920	0.000	1	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	135.4492	0.710	10	135.4492	0.503	10	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pd)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	134.4710	0.077	5	134.4710	0.006	5	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pt)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Pt)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CF3){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	134.3385	0.511	2	134.3385	0.261	2	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Zn)(C[5a]C[5a]C)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]Zn)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	132.9330	1.085	2	132.9330	1.177	2	134.3531	3.992	39	133.7743	5.458	47	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	0:SP2_SP2_SP2	C[5a]	C[5a]	C[6]	4:3:3:	3:3:1:	3:3:3:	N[5a]-4:C[6]-3:C[5a]-3:	C[5a]-3:C[5a]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a](N[5a]C[5a]Cu2)(C[6]C[6]N[6])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[5a](N[5a]C[5a]Cu2)(C[6]C[6]N[6])(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|Cu<5>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<5>,3|C<3>,3|H<1>}	129.8725	1.976	2	129.8725	3.906	2	129.8725	3.906	2	129.8725	3.906	2	131.0014	15.976	594	131.5812	10.507	2758
727	727	762	6:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:N[5a,6]-3:C[6,6]-3:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6,6]-3:C[5,6]-3:C[6]-2:	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]B[6])(C[6,6]C[5,6]C[6])	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6]N[5,6]S[5])(C[6]C[6])	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]B[6])(C[6,6]C[5,6]C[6]){1|H<1>,1|N<3>,1|S<2>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6]N[5,6]S[5])(C[6]C[6]){1|B<4>,1|H<1>,5|C<3>}	121.8720	0.000	1	121.8720	0.000	1	121.8720	0.000	1	121.8720	0.000	1	124.5888	4.040	4	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6,6]-3:N[5a,6]-3:	C[5a,6,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6,6]-3:C[5a,6]-3:N[6]-3:	C[5a,6,6](C[5a,6]C[6,6a]C[5a])(C[6,6]C[5a,6]N[6])(N[5a,6]C[5a]B[6])	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)	C[5a,6,6](C[5a,6]C[6,6a]C[5a])(C[6,6]C[5a,6]N[6])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H){1|B<4>,1|H<1>,6|C<3>}	124.7080	0.000	1	124.7080	0.000	1	124.7080	0.000	1	124.7080	0.000	1	124.5888	4.040	4	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	C[6,6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:C[5a,6]-3:C[6,6]-3:	C[5a,6,6]-3:C[5a]-3:C[6]-4:	C[5a,6,6]-3:C[6]-3:C[6]-4:	C[5a,6,6](C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H)	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6a]C[6])(C[6]C[6]HH)	C[5a,6,6](C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H){1|O<1>,2|C<4>,5|C<3>}	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,5|C<3>}	126.7100	0.000	1	126.7100	0.000	1	126.7100	0.000	1	126.7100	0.000	1	124.5888	4.040	4	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6,6]	C[5a,6]	C[6,6]	3:3:3:	3:4:2:	3:3:4:	C[5a,6]-3:C[5a,6]-3:C[6,6]-3:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	C[5a,6,6]-3:C[6]-3:C[6]-4:	C[5a,6,6](C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]C[5a])	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6a]C[6])(C[6]C[6]HH)	C[5a,6,6](C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])(C[6,6]C[6]2){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]C[5a]){2|C<4>,4|C<3>}	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,5|C<3>}	125.0650	0.000	1	125.0650	0.000	1	125.0650	0.000	1	125.0650	0.000	1	124.5888	4.040	4	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:2:3:	3:3:3:	3:2:3:	C[5a,6,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a,6]-3:N[6,6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(N[5a]C[5a])(C[6]N[6]N)	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](C[5a,6]C[5a,6,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(N[5a]C[5a])(C[6]N[6]N){1|C<4>,1|H<1>,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](C[5a,6]C[5a,6,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	116.7600	0.000	1	116.7600	0.000	1	116.7600	0.000	1	116.7600	0.000	1	122.7648	9.712	18	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	124.9010	0.000	1	124.9010	0.000	1	124.8219	0.266	11	124.8219	0.266	11	122.7648	9.712	18	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	125.5360	0.000	1	125.0950	0.185	5	124.8219	0.266	11	124.8219	0.266	11	122.7648	9.712	18	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	125.2300	0.233	2	125.0950	0.185	5	124.8219	0.266	11	124.8219	0.266	11	122.7648	9.712	18	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	125.0560	0.000	1	125.0950	0.185	5	124.8219	0.266	11	124.8219	0.266	11	122.7648	9.712	18	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|Si<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	124.4230	0.000	1	125.0950	0.185	5	124.8219	0.266	11	124.8219	0.266	11	122.7648	9.712	18	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	124.5775	1.039	2	124.5330	0.282	5	124.8219	0.266	11	124.8219	0.266	11	122.7648	9.712	18	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	124.5780	0.096	2	124.5330	0.282	5	124.8219	0.266	11	124.8219	0.266	11	122.7648	9.712	18	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	124.3540	0.000	1	124.5330	0.282	5	124.8219	0.266	11	124.8219	0.266	11	122.7648	9.712	18	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:3:2:	4:3:3:	4:3:1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[6,6]-4:C[5a,6]-3:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6]O)(O[5a]C[5a])	C[5a,6,6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5a,6]C[5a,6,6]O[5a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6]O)(O[5a]C[5a]){1|C<3>,2|H<1>,4|C<4>}	C[5a,6,6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5a,6]C[5a,6,6]O[5a])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	124.5050	0.000	1	124.5050	0.000	1	124.5050	0.000	1	124.5050	0.000	1	122.7648	9.712	18	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:C[6,6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]B[6])(C[6,6]C[5,6]C[6])	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]B[6])(C[6,6]C[5,6]C[6]){1|H<1>,1|N<3>,1|S<2>,2|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	117.6780	0.000	1	117.6780	0.000	1	117.6780	0.000	1	117.6780	0.000	1	122.7648	9.712	18	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[5a,6,6]-3:C[5a]-3:C[6]-3:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]O[6]O)	C[5a,6,6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]O[6]O){1|C<3>,3|C<4>}	C[5a,6,6](C[6,6]C[3,6,6]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.6010	0.000	1	119.6010	0.000	1	119.6120	0.000	2	119.6120	0.000	2	122.7648	9.712	18	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[5a,6,6]-3:C[5a]-3:C[6]-3:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]O[6]O)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]O[6]O){2|C<3>,2|C<4>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.6230	0.000	1	119.6230	0.000	1	119.6120	0.000	2	119.6120	0.000	2	122.7648	9.712	18	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5a,6,6]-3:C[5a]-3:C[6]-3:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]H)	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6,6](C[6,6]C[6,6a]C[6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|Si<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	117.4420	0.000	1	117.4420	0.000	1	117.4420	0.000	1	117.4420	0.000	1	122.7648	9.712	18	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[5a,6,6]-3:C[5a]-3:C[6]-3:	C[6,6]-4:C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[3,6]-4:O-1:	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[3,6]O)	C[5a,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6])	C[6](C[5a,6]C[5a,6,6]C[5a])(C[3,6]C[3,6]O[3]H)(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6,6](C[6,6]C[6,6a]C[3,6]C)(C[5a,6]C[5a]C[6])(C[5a,6]O[5a]C[6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[3,6]C[3,6]O[3]H)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.1170	0.000	1	121.1170	0.000	1	121.1170	0.000	1	121.1170	0.000	1	122.7648	9.712	18	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6a]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6,6a]-3:C[6,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6a]-3:C[6,6a]-3:	C[5a,6]-3:C[6,6]-4:C[6,6]-3:	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]2)(C[5a]N[5a]H)	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6])	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6])	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]2)(C[5a]N[5a]H){2|C<3>,2|H<1>,4|C<4>}	C[5a,6,6a](C[5a,6]C[6,6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6,6a]C[6a]C[6]){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[5,3x6]C[6]H)(C[6,6]C[5,6]C[6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>,7|C<4>}	117.9330	0.000	1	117.9330	0.000	1	117.9330	0.000	1	117.9330	0.000	1	117.9330	0.000	1	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6,6a]-3:C[5a,5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[6]-4:H-1:	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6a]C[6])	C[6](C[5a,6]C[5a,6,6a]C[5a,5a])(C[6]C[6]CH)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a,6]C[5a,5a]C[6])(C[6,6a]C[6a]C[6]){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[5a,6]C[5a,6,6a]C[5a,5a])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	118.8020	0.000	1	118.8020	0.000	1	118.8020	0.000	1	119.8035	2.006	2	119.8035	2.006	2	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6,6a]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6,6a]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[5a,6]-3:C[6]-4:H-1:	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6])	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5a,6,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]N[5a]C[6])(C[6,6a]N[6a]C[6]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H){5|C<3>}	120.8050	0.000	1	120.8050	0.000	1	120.8050	0.000	1	119.8035	2.006	2	119.8035	2.006	2	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[3x6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:C[3x6]-3:S[5a]-2:	C[5a,6a]-3:C[5,6,6]-3:C[5a,6]-3:	C[3x6]-3:C[5a,6]-3:C[3x6]-4:	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(C[3x6]C[3x6]2)(S[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5a,6]C[3x6]S[5a])	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[3x6]C[6,6]2H)	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(C[3x6]C[3x6]2)(S[5a]C[5a,6a]){1|H<1>,2|C<3>,5|C<4>}	C[5a,6](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5,6,6]C[5,6,6]C[5,6])(C[5a,6]C[3x6]S[5a]){1|H<1>,3|C<3>,6|C<4>}	C[3x6](C[3x6]C[5,6,6]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[3x6]C[6,6]2H){3|C<3>,4|C<4>,5|H<1>}	125.0820	0.000	1	125.0820	0.000	1	125.0820	0.000	1	125.0820	0.000	1	125.0820	0.000	1	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6,6]	3:3:2:	3:3:2:	3:3:3:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6,6]-3:N[6]-3:	C[5a,6](C[5a,6]N[5a]N[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]N[5a])(N[5a]C[5a]H)(N[6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[6,6]N[5a])(N[5a]C[5a]H)(N[6]C[6]){2|H<1>,2|N<3>}	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>}	120.1330	0.000	1	120.1330	0.000	1	120.1330	0.000	1	120.9305	1.272	2	123.2861	4.249	14	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6,6]	3:3:2:	3:3:2:	3:3:3:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	C[5a,6]-3:N[6]-3:S[5a]-2:	C[5a,6]-3:N[6,6]-3:C[6]-3:	C[5a,6](C[5a,6]S[5a]N[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]N[5a])(N[6]C[6a]B[6])(S[5a]C[5a])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]S[5a]N[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a]){1|B<4>,1|H<1>,4|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>}	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>}	121.7280	0.000	1	121.7280	0.000	1	121.7280	0.000	1	120.9305	1.272	2	123.2861	4.249	14	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6,6]	3:3:2:	3:4:2:	3:4:3:	C[5a,6]-3:C[6,6]-3:S[5a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]C[6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[6,6]S[5a])(C[6]C[6]HH)(N[5a]C[5a])	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6,6]C[6,6]C[6])(S[5a]C[5a]){1|C<3>,3|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[6,6]S[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	125.1237	0.548	3	125.1237	0.301	3	125.1237	0.301	3	125.1237	0.301	3	123.2861	4.249	14	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[6,6]-3:C[6]-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|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>}	122.8140	0.000	1	122.8140	0.000	1	122.8140	0.000	1	122.3323	0.385	3	123.2861	4.249	14	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6,6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:P[6,6]-4:	C[5a,6](C[6,6]C[5a,6]P[6,6])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]Ni)	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5,6]C[5,6]S[5])(C[5a]C[5a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])2(P[6,6]C[5,6]2O)	C[5a,6](C[6,6]C[5a,6]P[6,6])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]Ni){1|H<1>,1|N<3>,1|O<1>,1|S<4>,4|C<3>}	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5,6]C[5,6]S[5])(C[5a]C[5a]H){1|Ni<4>,1|P<4>,2|O<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])2(P[6,6]C[5,6]2O){1|Ni<4>,8|C<3>}	122.0915	0.650	2	122.0915	0.422	2	122.0915	0.422	2	122.3323	0.385	3	123.2861	4.249	14	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6,6]	3:3:3:	3:3:4:	3:3:2:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[6,6]-3:N[6]-2:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6,6a])	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	125.6790	0.000	1	125.6790	0.000	1	125.6790	0.000	1	125.6790	0.000	1	123.2861	4.249	14	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[6,6]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){1|N<3>,3|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]H){1|C<4>,4|C<3>,4|H<1>}	125.0780	0.000	1	125.0780	0.000	1	125.0780	0.000	1	122.4055	3.214	4	123.2861	4.249	14	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[6]-3:N[6,6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(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[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]HH){2|C<3>,2|N<3>,4|H<1>}	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>}	121.5147	0.245	3	121.5147	0.060	3	121.5147	0.060	3	122.4055	3.214	4	123.2861	4.249	14	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[5a,6](C[5a,6]C[5a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6,6]C[6,6]C[6])(N[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[6,6]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]H){1|C<4>,3|H<1>,4|C<3>}	126.4750	0.000	1	126.4750	0.000	1	126.4750	0.000	1	126.4750	0.000	1	123.2861	4.249	14	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:2:2:	3:2:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:N[6]-2:O-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O){1|C<3>,1|N<3>,2|N<2>}	119.2600	0.667	8	119.2600	0.445	8	119.2600	0.445	8	119.2600	0.445	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:2:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]O[5a])(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N){1|C<3>,1|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]O[5a])(N[6]C[6]){3|N<3>}	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>}	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:2:3:	3:2:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-2:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6])(H)	C[5a,6](C[5a,6]N[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>}	124.0290	0.000	1	124.0290	0.000	1	124.0290	0.000	1	124.0290	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:2:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]O[5a])(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N){1|C<3>,1|H<1>}	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](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|N<2>,1|O<2>,2|N<3>}	118.0710	0.000	1	118.0710	0.000	1	118.0710	0.000	1	118.0710	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|O<2>,2|C<3>}	120.0330	0.000	1	120.0330	0.000	1	120.0330	0.000	1	120.0330	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:2:3:	3:3:4:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](C[5a,6]N[5a]N[6])(O[5a]C[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(N[6]C[6]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(CH3)	C[5a,6](C[5a,6]N[5a]N[6])(O[5a]C[5a])(C[6]C[6]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	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](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	124.8830	0.000	1	124.8830	0.000	1	124.8830	0.000	1	124.8830	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:2:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-2:O-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O){1|C<3>,1|N<2>,2|N<3>}	118.8237	0.264	3	118.8237	0.070	3	118.8237	0.070	3	118.8237	0.070	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a]){1|N<2>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O){1|N<2>,1|S<2>,2|C<3>}	120.3030	0.000	1	121.3537	2.290	3	121.3537	2.290	3	120.8519	7.573	9	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O){1|Si<4>,1|C<3>,1|O<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]N[5a]C[6])(S[5a]C[5a]){1|Si<4>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O){1|N<2>,1|S<2>,2|C<3>}	121.8790	1.710	2	121.3537	2.290	3	121.3537	2.290	3	120.8519	7.573	9	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(N)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|N<1>,1|N<3>,2|H<1>}	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>}	116.5430	0.000	1	116.5430	0.000	1	116.5430	0.000	1	120.8519	7.573	9	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]S)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]S){1|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|N<3>,1|S<1>,2|H<1>}	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>}	118.9670	0.042	2	118.9670	0.002	2	118.9670	0.002	2	120.8519	7.573	9	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:N[6]-3:O[5a]-2:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]O[5a]N[6])(O[5a]B[5a])(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](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]O[5a]N[6])(O[5a]B[5a])(C[6]C[6]H){1|B<4>,1|H<1>,1|N<3>,2|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](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>}	119.8870	0.000	1	119.8870	0.000	1	119.8870	0.000	1	120.8519	7.573	9	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6,6a]-3:S-1:	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6,6a]S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(S)	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6,6a]S){4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6,6a]){1|H<1>,1|S<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(S){1|H<1>,1|O<2>,4|C<3>}	124.2820	0.000	1	124.2820	0.000	1	124.2820	0.000	1	120.8519	7.573	9	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6,6a]H){4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(S[6]C[6,6a]){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|S<2>,4|C<3>}	124.9600	0.000	1	124.9600	0.000	1	124.9600	0.000	1	120.8519	7.573	9	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6])(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]C)(NC[6a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]N[6]N){1|C<4>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6])(N[5a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]C)(NC[6a]){1|C<3>,1|N<2>,1|N<3>}	122.5270	0.000	1	122.5270	0.000	1	122.5270	0.000	1	120.3286	1.817	10	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|H<1>}	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>}	118.5930	0.000	1	118.5930	0.000	1	120.5136	0.861	7	120.3286	1.817	10	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]Pt)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pt<4>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]Pt)(N[6]C[6]){1|N<2>,1|N<3>,2|H<1>}	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>}	120.0470	0.000	1	120.0470	0.000	1	120.5136	0.861	7	120.3286	1.817	10	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N){1|C<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>}	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>}	120.9910	0.175	5	120.9910	0.031	5	120.5136	0.861	7	120.3286	1.817	10	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:O-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(OCa)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){1|H<1>,1|O<2>,2|N<3>}	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>}	118.5820	0.109	2	118.5820	0.012	2	118.5820	0.012	2	120.3286	1.817	10	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:C-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CNO)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CNO){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	117.8350	0.000	1	117.8350	0.000	1	117.8350	0.000	1	118.1158	0.544	56	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|H<1>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,2|N<3>}	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>}	118.6330	0.308	3	118.6330	0.095	3	117.9867	0.213	52	118.1158	0.544	56	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,2|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>}	117.5322	0.316	10	117.5322	0.100	10	117.9867	0.213	52	118.1158	0.544	56	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NPtH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,2|N<3>}	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>}	118.3950	0.000	1	118.3950	0.000	1	117.9867	0.213	52	118.1158	0.544	56	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[6]){1|C<4>,1|O<2>,2|N<3>,3|H<1>}	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>}	117.9661	0.395	7	117.9661	0.156	7	117.9867	0.213	52	118.1158	0.544	56	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){2|H<1>,2|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>,1|N<3>}	118.3045	0.045	2	118.3045	0.002	2	117.9867	0.213	52	118.1158	0.544	56	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|H<1>,3|N<3>}	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>}	117.5215	0.653	2	118.0218	0.170	28	117.9867	0.213	52	118.1158	0.544	56	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){2|H<1>,2|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>}	118.0603	0.381	26	118.0218	0.170	28	117.9867	0.213	52	118.1158	0.544	56	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]H)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N){1|C<3>,1|H<1>,1|O<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]H)(N[6]C[6]){3|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){2|N<2>,2|N<3>}	118.7110	0.000	1	118.7110	0.000	1	117.9867	0.213	52	118.1158	0.544	56	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(CC[6a]O)	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C){1|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.4790	0.000	1	121.4790	0.000	1	120.4477	0.903	3	118.1158	0.544	56	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(COO)	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C){1|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2560	0.000	1	120.2560	0.000	1	120.4477	0.903	3	118.1158	0.544	56	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:3:3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(COO)	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(COO){1|C<4>,1|O<2>,3|C<3>}	119.6080	0.000	1	119.6080	0.000	1	120.4477	0.903	3	118.1158	0.544	56	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:2:	3:4:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a]O[6])(O[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(O[6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a]O[6])(O[5a]C[5a])(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	125.6550	0.000	1	125.6550	0.000	1	125.6550	0.000	1	125.6550	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:2:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[6]-2:N-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Ir)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Br<1>,1|Ir<6>,1|C<3>,1|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Ir){1|Br<1>,1|H<1>,2|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH){1|C<3>,1|H<1>,2|N<3>}	117.5260	0.000	1	117.5260	0.000	1	117.5260	0.000	1	117.5260	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N){1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N){1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN){1|H<1>,1|N<3>,2|C<3>}	117.4170	0.000	1	117.4170	0.000	1	117.4170	0.000	1	117.8855	0.866	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[6]-2:C-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CNO)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C){1|C<3>,1|C<4>,2|H<1>}	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>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CNO){1|C<3>,2|C<4>,2|N<3>}	117.6790	0.000	1	117.6790	0.000	1	117.6790	0.000	1	117.8855	0.866	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Cd)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Cd<6>,1|C<3>,1|C<4>,1|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Cd){1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	119.2270	0.710	2	119.2270	0.504	2	117.9530	1.024	10	117.8855	0.866	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Co)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Co<5>,1|C<3>,1|C<4>,1|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Co){1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	117.5790	0.000	1	117.5790	0.000	1	117.9530	1.024	10	117.8855	0.866	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pd)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pd){1|H<1>,1|N<2>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,3|N<3>}	116.9527	0.212	3	116.9527	0.045	3	117.9530	1.024	10	117.8855	0.866	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt){1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	118.4590	0.000	1	118.4590	0.000	1	117.9530	1.024	10	117.8855	0.866	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Rh)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Rh<6>,1|C<3>,1|C<4>,1|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Rh){1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	118.9560	0.000	1	118.9560	0.000	1	117.9530	1.024	10	117.8855	0.866	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]Co)(N[6]C[6]Co)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){2|Co<6>,1|C<3>,1|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]Co)(N[6]C[6]Co){1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	118.2200	0.000	1	118.2200	0.000	1	117.9530	1.024	10	117.8855	0.866	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Ru)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCC)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Ru<6>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Ru){1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCC){1|C<3>,1|H<1>,2|N<3>}	117.0040	0.000	1	117.0040	0.000	1	117.9530	1.024	10	117.8855	0.866	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:2:4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-2:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]C)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]C){1|C<3>,1|N<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	119.8700	0.000	1	119.8700	0.000	1	119.8700	0.000	1	119.8700	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[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[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	122.3910	0.000	1	122.3910	0.000	1	122.3910	0.000	1	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]2)(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]2)(O){1|H<1>,1|N<3>,4|C<3>}	121.4190	0.164	2	121.4190	0.027	2	121.6170	0.131	3	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<3>,4|C<3>}	122.0130	0.000	1	122.0130	0.000	1	121.6170	0.131	3	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]O)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O){1|C<4>,1|N<3>,4|C<3>}	121.9160	0.000	1	121.9160	0.000	1	121.9160	0.000	1	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]N[6]H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Ni<6>,3|C<3>}	121.5455	0.339	2	121.5455	0.115	2	121.5455	0.115	2	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]N[6]H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]Zn)(H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]N[6]H){1|Zn<6>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]Zn)(H){4|C<3>}	122.5523	0.258	4	122.5523	0.066	4	122.5523	0.066	4	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6a]N[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6a]N[6])(C[5a]C[5a]H){1|Ir<6>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Ir<6>,3|C<3>}	123.3613	0.735	3	123.3613	0.540	3	123.3613	0.540	3	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	126.9990	0.000	1	126.9990	0.000	1	126.7903	0.330	4	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	127.0645	0.472	2	126.7207	0.466	3	126.7903	0.330	4	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,5|C<3>}	126.0330	0.000	1	126.7207	0.466	3	126.7903	0.330	4	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H){1|Co<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Co<4>,3|C<3>}	121.7910	0.000	1	121.9825	0.073	2	121.9825	0.073	2	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H){1|Cu<5>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Cu<5>,3|C<3>}	122.1740	0.000	1	121.9825	0.073	2	121.9825	0.073	2	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]C[5a])(S[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]C[5a])(S[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]O)(O){1|S<2>,3|C<3>}	124.0318	0.193	4	124.0318	0.037	4	124.0318	0.037	4	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(O)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(O){1|H<1>,3|C<3>}	123.5280	0.000	1	123.5280	0.000	1	123.5280	0.000	1	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Br<1>,1|H<1>,1|N<3>,1|S<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S){1|H<1>,3|C<3>}	124.7820	0.000	1	124.5317	0.081	3	124.5317	0.081	3	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,1|I<1>,1|N<3>,1|S<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S){1|H<1>,3|C<3>}	124.5900	0.000	1	124.5317	0.081	3	124.5317	0.081	3	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S){1|C<3>,1|C<4>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|N<3>,1|S<1>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S){1|H<1>,3|C<3>}	124.2230	0.000	1	124.5317	0.081	3	124.5317	0.081	3	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6a]N[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6a]N[6])(C[5a]C[5a]H){1|Ir<6>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]H)(H){1|Ir<6>,3|C<3>}	122.0295	0.682	2	122.0295	0.466	2	122.0295	0.466	2	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H){1|H<1>,3|C<3>}	119.6090	0.000	1	119.6090	0.000	1	119.6090	0.000	1	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[6,6a]C[5a])(S[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]C[5a])(S[5a]C[5a])(C[6]C[6]O){1|O<1>,1|S<2>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]C){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]O)(O){4|C<3>}	126.9930	0.000	1	126.9930	0.000	1	126.9930	0.000	1	123.3618	3.626	32	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N){1|N<2>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|N<3>,2|C<3>}	120.5020	0.000	1	120.5020	0.000	1	120.5020	0.000	1	121.5260	2.097	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:2:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N-2:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(NH)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(NH){1|H<1>,3|C<3>}	122.5500	0.000	1	122.5500	0.000	1	122.5500	0.000	1	121.5260	2.097	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	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](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO){1|C<3>,1|H<1>,2|N<3>}	117.6870	0.000	1	117.6870	0.000	1	117.6870	0.000	1	117.6870	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]C){1|C<3>,2|H<1>,2|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	121.8960	0.000	1	121.8960	0.000	1	121.8960	0.000	1	123.6755	6.333	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:3:4:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]P)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]O)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]C){1|O<1>,1|P<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]P){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]O)(CH3){1|C<4>,3|C<3>}	125.4550	0.000	1	125.4550	0.000	1	125.4550	0.000	1	123.6755	6.333	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:4:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]BrC)(O)	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O){1|Br<1>,1|S<4>,2|C<3>,2|C<4>}	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>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]BrC)(O){1|H<1>,1|N<3>,3|C<3>}	127.9070	0.000	1	127.9070	0.000	1	127.8500	0.006	2	127.8500	0.006	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:3:	3:4:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]ClC)(O)	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O){1|Cl<1>,1|S<4>,2|C<3>,2|C<4>}	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>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]ClC)(O){1|H<1>,1|N<3>,3|C<3>}	127.7930	0.000	1	127.7930	0.000	1	127.8500	0.006	2	127.8500	0.006	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.6770	0.000	1	122.6770	0.000	1	122.6770	0.000	1	126.3297	2.219	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:4:	3:3:1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-3:Cl-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]Cl)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]N[6])(Cl)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]Cl){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]CH){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]N[6])(Cl){1|C<4>,5|C<3>}	124.4460	0.000	1	124.4460	0.000	1	124.4460	0.000	1	126.3297	2.219	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:4:	3:3:1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O){1|C<4>,1|S<4>,2|C<3>}	126.5830	0.580	7	126.8833	0.495	10	126.8833	0.495	10	126.3297	2.219	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:4:	3:3:1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O){1|C<4>,1|S<4>,2|C<3>}	127.5840	0.404	3	126.8833	0.495	10	126.8833	0.495	10	126.3297	2.219	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:4:	3:3:2:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6]-3:C[6]-3:O-2:	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH){1|C<4>,1|S<4>,2|C<3>}	124.6390	0.000	1	124.3470	0.151	3	124.3470	0.151	3	124.3470	0.151	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:4:	3:3:2:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:S[6]-4:	C[5a,6]-3:C[6]-3:O-2:	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(S[6]N[6]OO){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH){1|C<4>,1|S<4>,2|C<3>}	124.2010	0.417	2	124.3470	0.151	3	124.3470	0.151	3	124.3470	0.151	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.2530	0.000	1	123.2530	0.000	1	123.3835	0.034	2	123.3835	0.034	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.5140	0.000	1	123.5140	0.000	1	123.3835	0.034	2	123.3835	0.034	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:4:	3:4:1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	125.4760	0.000	1	125.4760	0.000	1	125.4760	0.000	1	125.4760	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:4:	3:4:3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CC[6a]H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]Br)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	127.7170	0.000	1	127.7170	0.000	1	126.6475	2.288	2	126.6475	2.288	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:3:4:	3:4:3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(CCH)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|N<3>,6|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(CCH){1|C<4>,1|S<4>,2|C<3>}	125.5780	0.000	1	125.5780	0.000	1	126.6475	2.288	2	126.6475	2.288	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	3:4:2:	3:4:1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,1|O<1>,3|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>}	121.7480	0.027	2	121.7480	0.001	2	121.7480	0.001	2	121.7480	0.001	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:2:3:	4:3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6](C[5a,6]C[6,6]N[5a])(N[5a]O[5a])(C[6]C[6]N)	C[5a,6](C[6,6]N[6,6]C[6]2)(C[5a,6]N[5a]C[6])(N[5a]O[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO)	C[5a,6](C[5a,6]C[6,6]N[5a])(N[5a]O[5a])(C[6]C[6]N){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[6,6]N[6,6]C[6]2)(C[5a,6]N[5a]C[6])(N[5a]O[5a]){1|O<1>,2|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	118.8260	0.000	1	118.8260	0.000	1	118.8260	0.000	1	118.8260	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:2:3:	3:3:2:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6])(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]N[6])	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6])(N[5a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]N[6]N){1|C<4>,1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]N[6]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	119.4870	0.000	1	119.4870	0.000	1	119.4870	0.000	1	119.4870	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])2(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])2(O){1|C<3>,2|N<2>,2|N<3>}	125.1130	2.110	2	125.1130	4.452	2	125.1130	4.452	2	122.6476	3.269	18	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(O){1|N<3>,2|C<3>,2|N<2>}	124.2290	0.168	2	124.2290	0.028	2	123.0413	0.453	10	122.6476	3.269	18	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]S[5a])	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]S[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]S[5a]){1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]S[5a]){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	122.7444	0.272	8	122.7444	0.074	8	123.0413	0.453	10	122.6476	3.269	18	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6]-3:C[5,6]-3:F-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5,6]F)(S[5a]S[5a])	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[5,6]C)(N[5a]S[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5])(F)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5,6]F)(S[5a]S[5a]){1|C<3>,1|C<4>,1|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[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5])(F){1|N<3>,2|N<2>,2|S<2>}	119.6355	0.639	2	119.6355	0.408	2	119.6355	0.408	2	122.6476	3.269	18	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a])	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[6,6]C)(N[5a]S[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a]){1|C<3>,1|C<4>,1|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](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H){1|C<3>,1|N<3>,1|S<2>,2|N<2>}	120.1540	0.240	2	121.9365	4.256	4	121.9365	4.256	4	122.6476	3.269	18	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a])	C[5a,6](C[5a,6]S[5a]C[6])(N[6]C[6,6]C)(N[5a]S[5a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a]){1|C<3>,1|C<4>,1|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](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H){1|N<3>,1|S<2>,3|N<2>}	123.7190	0.000	2	121.9365	4.256	4	121.9365	4.256	4	122.6476	3.269	18	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6a]-3:O[6]-2:	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]C[6a]O[6])(O[5a]B[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]O[5a]C[6])(O[5a]B[5a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]C[6a]O[6])(O[5a]B[5a]){2|F<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]O[5a]C[6])(O[5a]B[5a]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a]){1|B<4>,1|O<2>,2|H<1>,4|C<3>}	120.0430	0.000	1	120.0430	0.000	1	120.0430	0.000	1	123.9227	11.349	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:C[6,6a]-3:C-2:	C[5a,6](C[5a,6]C[5a,6]S[6])(C[6]C[6,6a]C)(S[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]S[5a]C[6])(S[6]C[6,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(CC)	C[5a,6](C[5a,6]C[5a,6]S[6])(C[6]C[6,6a]C)(S[5a]C[5a,6]){1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[6])(C[5a,6]S[5a]C[6])(S[6]C[6,6a]){1|C<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(CC){1|H<1>,1|S<2>,4|C<3>}	125.8625	0.346	2	125.8625	0.120	2	125.8625	0.120	2	123.9227	11.349	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:2:	3:3:3:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:C[6a]-3:N[6]-3:	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]N[6])(N[5a]C[5a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]Rh)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]N[6])(N[5a]C[5a]){1|Rh<8>,1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]Rh){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	117.6230	0.000	1	117.6230	0.000	1	117.6230	0.000	1	117.6230	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	122.1750	0.339	3	122.1750	0.115	3	123.1462	0.887	9	124.5965	2.867	35	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]Fe)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|Fe<6>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]Fe){1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	123.8466	0.556	5	123.8466	0.309	5	123.1462	0.887	9	124.5965	2.867	35	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]C){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	122.5580	0.000	1	122.5580	0.000	1	123.1462	0.887	9	124.5965	2.867	35	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O)	C[6](C[5a,6]C[5a,6]N[5a])2(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a]){1|N<2>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O){1|N<3>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])2(O){1|C<3>,2|N<2>,2|N<3>}	124.0950	0.374	10	124.0950	0.140	10	124.0950	0.140	10	124.5965	2.867	35	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]){1|O<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	123.3720	0.000	1	123.3720	0.000	1	123.3720	0.000	1	124.5965	2.867	35	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[5a,6]-3:O-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[6]N[5a,6]O)(N[5a]C[5a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[5])(N[6]C[5a,6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(O)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]N[5a,6]O)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	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[6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(O){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	123.1160	0.000	1	123.1160	0.000	1	123.1160	0.000	1	124.5965	2.867	35	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-2:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]N[5a,6]C[6])(C[6]C[5a,6]O)(N[5a]C[5a,6])	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[6]C[5a,6]O)(N[5a]C[5a,6]){1|N<3>,1|O<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O){1|N<2>,1|N<3>,4|C<3>}	122.1290	0.000	1	122.1290	0.000	1	122.1290	0.000	1	124.5965	2.867	35	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[6,6a]O)(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[6,6a]O)(O[5a]C[5a,6]){1|C<4>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){2|C<3>,2|C<4>,2|O<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	126.9500	0.000	1	126.9500	0.000	1	126.9500	0.000	1	124.5965	2.867	35	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|O<1>,4|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	128.2460	0.000	1	128.2460	0.000	1	128.2460	0.000	1	124.5965	2.867	35	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	126.3360	0.000	1	126.3360	0.000	1	126.3365	0.000	2	124.5965	2.867	35	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]O[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]O[6a])(O){5|C<3>}	126.3370	0.000	1	126.3370	0.000	1	126.3365	0.000	2	124.5965	2.867	35	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[5a,6]C[5a,6]O[5a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[5a,6]C[5a,6]O[5a])(O){1|C<4>,5|C<3>}	127.0860	0.585	5	127.0860	0.342	5	127.0860	0.342	5	124.5965	2.867	35	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a])	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a]){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|I<1>,1|O<1>,1|S<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O){1|H<1>,1|S<2>,4|C<3>}	124.7200	0.000	1	124.7155	0.000	2	124.7155	0.000	2	124.5965	2.867	35	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a])	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O){1|H<1>,1|S<2>,4|C<3>}	124.7110	0.000	1	124.7155	0.000	2	124.7155	0.000	2	124.5965	2.867	35	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(S[5a]C[5a])	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(S[5a]C[5a]){1|O<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|O<1>,1|S<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	125.1325	0.200	2	125.1325	0.040	2	125.1325	0.040	2	124.5965	2.867	35	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:P[6]-2:	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6])(S[5a]C[5a])	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(P[6]C[5a,6])	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6])(S[5a]C[5a]){2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H){1|P<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(P[6]C[5a,6]){1|S<2>,2|H<1>,5|C<3>}	126.0060	0.000	1	126.0060	0.000	1	126.0060	0.000	1	126.0060	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6]C[6a]C[6])(O[5a]C[5a,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(N[6]C[6]S)	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6]C[6a]C[6])(O[5a]C[5a,6a]){1|C<4>,1|H<1>,1|S<4>,4|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>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	125.7150	0.000	1	125.7150	0.000	1	125.7150	0.000	1	125.7150	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:4:3:	3:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]N[5a])	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H)	C[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[5a]C[6])(C[6]C[6,6]H)(O[5a]N[5a]){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]N[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|N<2>,2|H<1>,4|C<4>}	125.1730	0.000	1	125.1730	0.000	1	125.1730	0.000	1	125.8015	0.790	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:4:3:	3:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a])	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,4|C<4>}	126.4300	0.000	1	126.4300	0.000	1	126.4300	0.000	1	125.8015	0.790	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:4:3:	3:4:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a])	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[5,6]CH)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	128.0750	0.000	1	128.0750	0.000	1	127.4220	0.435	3	127.5368	4.361	6	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:4:3:	3:4:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a])	C[5a,6](C[5a,6]O[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,3|C<3>}	127.0955	0.480	2	127.0955	0.231	2	127.4220	0.435	3	127.5368	4.361	6	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:4:3:	3:4:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6,6]-4:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]C[5a])	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]C[5a]){3|H<1>,4|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]C){2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	130.9240	0.000	1	130.9240	0.000	1	130.9240	0.000	1	127.5368	4.361	6	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:4:3:	3:4:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6,6]-4:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a])	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a]){3|C<4>,4|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(O){2|C<4>,3|C<3>,3|H<1>}	127.5640	0.000	1	127.5640	0.000	1	127.5640	0.000	1	127.5368	4.361	6	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	3:4:3:	3:4:1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(S[5a]C[5a])	C[5a,6](C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(S[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]N[5,6]HH)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,3|C<3>}	124.4670	0.000	1	124.4670	0.000	1	124.4670	0.000	1	127.5368	4.361	6	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	4:3:3:	3:4:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a])	C[5a,6](C[5,6]O[5,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]C)(O)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5a,6](C[5,6]O[5,6]C[5]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]C)(O){1|H<1>,2|C<4>,3|C<3>}	124.4970	0.000	1	124.4970	0.000	1	124.4970	0.000	1	124.4970	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	4:3:3:	4:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a])	C[5a,6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	C[6](C[5,6]C[5,5]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5a,6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	124.2090	0.585	2	124.2090	0.343	2	123.9653	0.350	3	123.9653	0.350	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:2:	4:3:3:	4:3:1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a])	C[5a,6](C[5,6]C[5,6]O[5,6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H)	C[6](C[5,6]C[5,6]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5a,6](C[5,6]C[5,6]O[5,6]H)(C[5a,6]O[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O){1|H<1>,2|C<4>,3|C<3>}	123.4780	0.000	1	123.4780	0.000	1	123.9653	0.350	3	123.9653	0.350	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:S[5a]-2:C[6]-2:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	118.2490	0.000	1	118.2490	0.000	1	118.2490	0.000	1	120.4625	2.527	4	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-2:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]Zn)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]Zn)(C[6]C[6]H){1|H<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]){1|Zn<5>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|Zn<5>,1|C<2>,1|C<3>,1|H<1>,1|N<2>}	120.4910	0.000	1	120.4910	0.000	1	120.4910	0.000	1	120.4625	2.527	4	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S){1|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|N<3>,1|S<1>,3|H<1>}	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>}	121.5550	0.543	2	121.5550	0.295	2	121.5550	0.295	2	120.4625	2.527	4	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:2:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:N[6]-3:S-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Ru)(C[6]N[6]S)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(SRu)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Ru)(C[6]N[6]S){1|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|Ru<9>,1|H<1>,1|S<2>,2|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>}	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:2:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,1|H<1>,1|O<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){2|H<1>,3|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>}	118.8250	0.000	1	118.8250	0.000	1	118.8250	0.000	1	119.6385	1.324	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:2:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:N[6]-3:S-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Cu)(C[6]N[6]S)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(SCu2)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Cu)(C[6]N[6]S){1|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]){1|Cu<4>,1|N<3>,1|S<3>,2|H<1>}	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>}	120.4520	0.000	1	120.4520	0.000	1	120.4520	0.000	1	119.6385	1.324	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:2:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[6]-2:N-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N){1|C<3>,2|H<1>}	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](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	119.3210	0.000	1	119.3210	0.000	1	119.7790	0.420	2	119.7790	0.420	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:2:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[6]-2:N-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NC)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	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](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.2370	0.000	1	120.2370	0.000	1	119.7790	0.420	2	119.7790	0.420	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:2:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N){1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N){1|N<2>,1|N<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN){1|N<2>,2|C<3>,2|H<1>}	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	119.9973	0.328	19	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:2:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	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](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.0490	0.402	11	120.0490	0.161	11	120.0102	0.344	18	119.9973	0.328	19	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:2:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	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](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.3144	0.592	5	120.1810	0.387	6	120.0102	0.344	18	119.9973	0.328	19	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:2:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	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](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	119.5140	0.000	1	120.1810	0.387	6	120.0102	0.344	18	119.9973	0.328	19	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:2:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Sn)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Sn)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	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](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|Sn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	118.5590	0.000	1	118.5590	0.000	1	120.0102	0.344	18	119.9973	0.328	19	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O){1|N<2>,2|C<3>,2|H<1>}	118.4310	0.000	1	118.4310	0.000	1	118.4310	0.000	1	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C[5])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C[5])(C[6]C[6]H){1|Os<9>,1|C<3>,2|H<1>,2|N<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](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	118.8860	0.000	1	118.8860	0.000	1	118.8860	0.000	1	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]O){1|C<3>,3|H<1>}	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](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|N<2>,2|H<1>,2|N<3>}	120.8370	0.000	1	120.8370	0.000	1	120.8370	0.000	1	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]N[6])(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]N[6]H){1|Zn<6>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	117.8457	0.165	4	117.8457	0.027	4	117.8457	0.027	4	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]N[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]Ni)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]N[6]H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]Ni)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.1715	0.086	2	118.1715	0.007	2	118.1715	0.007	2	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Br<1>,1|H<1>,1|N<3>,1|S<1>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	117.4600	0.000	1	117.5320	0.118	3	117.5320	0.118	3	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,1|I<1>,1|N<3>,1|S<1>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	117.2300	0.000	1	117.5320	0.118	3	117.5320	0.118	3	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|N<3>,1|S<1>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	117.9060	0.000	1	117.5320	0.118	3	117.5320	0.118	3	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]N)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	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>}	121.3390	0.000	1	121.3390	0.000	1	121.1290	0.088	2	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|H<1>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	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>}	120.9190	0.000	1	120.9190	0.000	1	121.1290	0.088	2	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	C[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)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|C<4>,1|N<2>,3|C<3>}	124.1323	0.624	3	124.1323	0.389	3	124.0097	0.319	4	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]C){1|C<3>,2|H<1>,2|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	123.6420	0.000	1	123.6420	0.000	1	124.0097	0.319	4	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O){1|C<3>,1|H<1>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C){1|Rh<6>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|Rh<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	122.8950	0.000	1	122.8950	0.000	1	122.8950	0.000	1	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	119.4310	0.000	1	119.4310	0.000	1	119.5837	0.290	4	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	119.6347	0.648	3	119.6347	0.419	3	119.5837	0.290	4	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]Co)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H){1|Co<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]Co)(H){1|H<1>,1|O<2>,3|C<3>}	117.7870	0.000	1	117.7870	0.000	1	117.5990	0.071	2	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]Cu)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H){1|Cu<5>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]Cu)(H){1|H<1>,1|O<2>,3|C<3>}	117.4110	0.000	1	117.4110	0.000	1	117.5990	0.071	2	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|C<4>,1|S<2>,3|C<3>}	119.8220	0.000	1	119.8220	0.000	1	119.8220	0.000	1	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(O)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(O){1|C<4>,1|N<2>,3|C<3>}	124.1190	0.000	1	124.1190	0.000	1	124.1190	0.000	1	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	N[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)	C[5a,6](C[5a,6]N[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[5a,6]O)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[5a,6]O){1|N<3>,1|O<1>,3|C<3>}	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O){1|N<2>,1|N<3>,4|C<3>}	126.7040	0.000	1	126.7040	0.000	1	126.7040	0.000	1	120.1374	7.375	28	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N){1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N){1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|H<1>,1|N<2>,2|C<3>}	122.5270	0.000	1	122.5270	0.000	1	122.5270	0.000	1	124.7315	2.374	4	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[6]-3:O-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Ir)(C[6]N[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OIr)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Ir)(C[6]N[6]O){1|C<3>,1|I<1>,2|C<4>}	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](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>}	125.7865	0.165	2	125.4663	0.321	3	125.4663	0.321	3	124.7315	2.374	4	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[6]-3:O-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Ir)(C[6]N[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OIr)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Ir)(C[6]N[6]O){1|Cl<1>,1|C<3>,2|C<4>}	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](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>}	124.8260	0.000	1	125.4663	0.321	3	125.4663	0.321	3	124.7315	2.374	4	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6a]N[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6a]N[6])(C[5a]C[5a]H){1|Ir<6>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|O<2>,3|H<1>,4|C<3>}	118.2077	0.553	3	118.2077	0.306	3	118.2077	0.306	3	118.8526	1.701	7	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6a]N[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]Ir)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6a]N[6])(C[5a]C[5a]H){1|Ir<6>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]Ir){1|S<2>,3|H<1>,4|C<3>}	118.0890	0.857	2	118.0890	0.734	2	118.0890	0.734	2	118.8526	1.701	7	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,3|H<1>}	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](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>}	120.5835	0.672	2	120.5835	0.452	2	120.5835	0.452	2	118.8526	1.701	7	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[6]-3:C-4:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6]H)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]C){1|C<3>,1|N<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	118.7270	0.000	1	118.7270	0.000	1	118.7270	0.000	1	117.8265	1.622	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6]-3:C[6]-3:P-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]P)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]P){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]C){1|O<1>,1|P<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3){1|O<1>,1|O<2>,3|C<3>}	116.9260	0.000	1	116.9260	0.000	1	116.9260	0.000	1	117.8265	1.622	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:4:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]CC){3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.6790	0.000	1	119.6790	0.000	1	119.6790	0.000	1	119.6790	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]C[6])(O[5a]C[5a,6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(O[5a]C[5a,6])(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	118.8780	0.000	1	118.8780	0.000	1	118.8780	0.000	1	120.8522	0.701	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3710	0.000	1	121.0250	0.239	2	121.1343	0.076	7	120.8522	0.701	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	120.6790	0.000	1	121.0250	0.239	2	121.1343	0.076	7	120.8522	0.701	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:2:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.1780	0.213	5	121.1780	0.045	5	121.1343	0.076	7	120.8522	0.701	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,5a]-3:C[5a,6]-3:S[6]-2:	C[5a,6]-3:S[6]-2:S-1:	C[5a,6](C[5a,6]C[5a,5a]S[6])(N[5a]C[5a,5a]C)(C[6]S[6]S)	C[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a]C[6])(S[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(S)	C[5a,6](C[5a,6]C[5a,5a]S[6])(N[5a]C[5a,5a]C)(C[6]S[6]S){1|C<3>,1|C<4>,1|S<2>}	C[5a,6](C[5a,5a]C[5a,5a]S[5a])(C[5a,6]N[5a]C[6])(S[6]C[6]){1|C<4>,1|O<2>,1|S<1>,2|C<3>,2|S<2>}	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(S){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	125.7595	0.139	2	125.7595	0.019	2	125.7595	0.019	2	125.7595	0.019	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[6,6a]O)(O[5a]C[5a,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){2|C<3>,2|C<4>,2|O<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[6,6a]O)(O[5a]C[5a,6]){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|H<1>,1|O<2>,5|C<3>}	119.8440	0.000	1	119.8440	0.000	1	119.8440	0.000	1	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|O<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	119.9840	0.088	2	120.6325	0.359	11	120.6325	0.359	11	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|F<1>,1|O<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	120.8645	0.190	2	120.6325	0.359	11	120.6325	0.359	11	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|I<1>,1|O<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|H<1>,1|I<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	120.1085	0.955	2	120.6325	0.359	11	120.6325	0.359	11	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|O<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	121.2760	0.247	2	120.6325	0.359	11	120.6325	0.359	11	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	120.9680	0.122	2	120.6325	0.359	11	120.6325	0.359	11	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|Si<4>,1|C<3>,1|O<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|Si<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	120.5550	0.000	1	120.6325	0.359	11	120.6325	0.359	11	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	119.8180	0.000	1	119.8180	0.000	1	119.8180	0.000	1	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(S)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S){1|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|N<3>,1|S<1>,2|H<1>}	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>}	120.2540	0.000	1	120.2540	0.000	1	119.6675	0.688	2	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(S)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S){1|C<3>,1|C<4>,1|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|N<3>,1|S<1>,2|H<1>}	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>}	119.0810	0.000	1	119.0810	0.000	1	119.6675	0.688	2	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,3|C<3>}	118.9112	0.417	5	119.0920	0.335	6	119.1770	0.199	10	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|O<1>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,3|C<3>}	119.9960	0.000	1	119.0920	0.335	6	119.1770	0.199	10	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|H<1>,1|O<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|O<2>,4|C<3>}	119.2350	0.000	1	119.3045	0.003	4	119.1770	0.199	10	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|O<1>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|O<2>,4|C<3>}	119.3277	0.028	3	119.3045	0.003	4	119.1770	0.199	10	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	120.3077	0.680	6	120.4551	0.537	7	120.4551	0.537	7	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	121.3400	0.000	1	120.4551	0.537	7	120.4551	0.537	7	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O){1|H<1>,1|S<2>,4|C<3>}	121.3060	0.000	1	121.0785	0.104	2	121.0785	0.104	2	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|I<1>,1|O<1>,1|S<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a]){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O){1|H<1>,1|S<2>,4|C<3>}	120.8510	0.000	1	121.0785	0.104	2	121.0785	0.104	2	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|O<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(S[5a]C[5a]){1|O<1>,1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|S<2>,5|C<3>}	119.5910	0.361	2	119.5910	0.130	2	119.5910	0.130	2	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]C)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	124.9327	0.410	3	124.9327	0.168	3	123.4678	1.977	9	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]Fe)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]Fe){1|O<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|Fe<6>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|Fe<6>,1|H<1>,1|N<2>,4|C<3>}	122.3478	0.573	5	122.3478	0.329	5	123.4678	1.977	9	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]C)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]C){1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	124.6730	0.000	1	124.6730	0.000	1	123.4678	1.977	9	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-2:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6])	C[6](C[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)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	121.9100	0.000	1	121.9100	0.000	1	121.9100	0.000	1	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])2(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O){1|N<3>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a]){1|N<2>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])2(O){3|C<3>,4|N<2>}	125.7867	0.532	10	125.7867	0.283	10	125.7867	0.283	10	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]){1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|N<2>,4|C<3>}	124.7990	0.000	1	124.7990	0.000	1	124.7990	0.000	1	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S){1|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){1|N<3>,1|S<1>,3|H<1>}	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>}	122.0230	0.000	1	122.0230	0.000	1	122.0230	0.000	1	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[6]C[6]Pt)(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O){1|Pt<4>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[6]C[6]Pt)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|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>}	122.0670	0.000	1	122.0670	0.000	1	122.0670	0.000	1	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-2:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){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)(C[6]C[6]){2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	118.2910	0.000	1	118.2910	0.000	1	118.2910	0.000	1	121.6736	6.042	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]S)(C[6]N[6]N)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6a]C[6])(NH)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]S)(C[6]N[6]N){3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]){1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|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>}	120.4200	0.454	2	120.4200	0.206	2	120.4200	0.206	2	120.2770	0.164	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NO)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	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>}	119.9910	0.000	1	119.9910	0.000	1	119.9910	0.000	1	120.2770	0.164	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C)(COO)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	118.6670	0.000	1	118.6670	0.000	1	118.6670	0.000	1	119.6852	2.732	19	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	B[6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6](C[5a,6]S[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](B[6]C[5a,6]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])2(C[6]C[5a,6]2)	C[5a,6](C[5a,6]S[5a]B[6])(C[6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,5|C<3>}	C[5a,6](B[6]C[5a,6]C[6a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])2(C[6]C[5a,6]2){1|B<3>,2|H<1>,2|S<2>,6|C<3>}	121.5385	0.445	2	121.5385	0.198	2	121.5385	0.198	2	119.6852	2.732	19	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[5a,6]C[5a]C[6])(S[5a]C[5a]){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C[6a])(C[6a]C[6a]2){1|S<2>,3|H<1>,7|C<3>}	120.1120	0.000	1	120.1120	0.000	1	120.1120	0.000	1	119.6852	2.732	19	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]){2|H<1>,3|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>}	118.7670	0.000	1	118.7670	0.000	1	119.1311	0.400	13	119.6852	2.732	19	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){2|N<3>,3|H<1>}	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>}	119.5420	0.000	1	119.5420	0.000	1	119.1311	0.400	13	119.6852	2.732	19	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]){2|N<3>,3|H<1>}	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>}	119.1268	0.670	11	119.1268	0.449	11	119.1311	0.400	13	119.6852	2.732	19	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a,6]-3:C[5a,6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N)	C[5a,6](N[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]O[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N){1|C<3>,1|N<2>,1|N<3>}	C[5a,6](N[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]O[5a]){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	125.1750	0.000	1	125.1750	0.000	1	125.1750	0.000	1	119.6852	2.732	19	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)(COO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(O[6]C[6]){1|N<2>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)(COO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	118.2830	0.000	1	118.2830	0.000	1	118.2830	0.000	1	119.6852	2.732	19	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:S[6]-2:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(S[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	121.8110	0.000	1	121.8110	0.000	1	121.8110	0.000	1	121.8110	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]FF)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|H<1>,2|C<3>,2|F<1>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]FF)(O){1|C<4>,1|O<2>,3|C<3>}	119.1610	0.000	1	119.1610	0.000	1	119.1610	0.000	1	119.1610	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	3:4:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:O[6]-2:	C[5a,6]-3:C[6]-4:N-2:	C[5a,6](C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]C)(C[6]C[6]N)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(O[6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NS)	C[5a,6](C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]C)(C[6]C[6]N){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(O[6]C[6]){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NS){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.8800	0.000	1	121.8800	0.000	1	121.8800	0.000	1	121.8800	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	C[5,3x6]-4:C[5a,6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[5,3x6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[5,3x6])	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[5,3x6]H){1|C<4>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[5,3x6]){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H){1|C<4>,1|N<2>,8|C<3>}	121.3240	0.064	2	121.3240	0.004	2	121.3240	0.004	2	121.3240	0.004	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-2:H-1:	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6])(H)	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|Ge<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|Ge<6>,1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]2)(C[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.9000	0.000	1	121.9000	0.000	1	121.9000	0.000	1	120.1393	16.236	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-2:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|C<2>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H){1|C<2>,1|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	117.1350	0.000	1	117.1350	0.000	1	118.2170	2.341	2	120.1393	16.236	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-2:H-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]H){1|C<2>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.2990	0.000	1	119.2990	0.000	1	118.2170	2.341	2	120.1393	16.236	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-2:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){2|C<3>,2|H<1>}	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](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H){1|C<3>,2|H<1>,2|N<3>}	117.5840	0.000	1	117.5840	0.000	1	117.5840	0.000	1	120.1393	16.236	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[6]-2:Cl-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]Cl)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Ru)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(Cl)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]Cl){1|Ru<9>,1|Si<4>,1|C<3>,1|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Ru){1|Cl<1>,1|N<2>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(Cl){1|C<3>,2|H<1>,2|N<3>}	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	120.1393	16.236	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O){1|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	124.2460	0.000	1	123.7775	0.439	2	123.7775	0.439	2	120.1393	16.236	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O){1|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){3|C<3>,3|C<4>}	123.3090	0.000	1	123.7775	0.439	2	123.7775	0.439	2	120.1393	16.236	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:S[6]-2:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]S[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]S[6]H){1|C<4>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|S<1>,1|S<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H){1|S<1>,1|S<4>,3|C<3>}	124.4730	0.000	1	124.4730	0.000	1	124.4730	0.000	1	120.1393	16.236	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:O[6]-2:N-2:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]O[6]N)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]O[6]N){1|H<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a]){1|C<4>,4|C<3>}	123.7000	0.000	1	123.7000	0.000	1	123.7000	0.000	1	124.1707	0.264	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:O[6]-2:N-2:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]N)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a])	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]N){4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	124.4060	0.443	2	124.4060	0.196	2	124.4060	0.196	2	124.1707	0.264	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]N)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Cu)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]N){1|Cu<5>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Cu){1|N<2>,1|N<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	116.9050	0.000	1	116.9050	0.000	1	116.9050	0.000	1	116.9050	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|Ge<6>,1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|Ge<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|C<3>}	120.8000	0.000	1	120.8000	0.000	1	120.8000	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]N[5a,6]C[5,6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[5a,6](C[5a,6]N[5a,6]C[5,6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	123.7620	0.000	1	123.7620	0.000	1	123.7620	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]O)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]2)(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]O)(C[6]N[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.4520	0.000	1	117.4520	0.000	1	117.4520	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6,6a]O){2|C<4>,2|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	120.2360	0.188	2	120.2360	0.035	2	120.2360	0.035	2	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6,6a]O)	C[5a,6](C[5a,6]N[5a,6]C[5,6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a,6]C[5,6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	120.3700	0.000	1	120.3700	0.000	1	120.3700	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6,6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]S[6])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6,6]O){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]S[6])(O){1|C<4>,2|N<3>,2|O<1>,3|C<3>}	121.2325	0.592	2	121.2325	0.350	2	121.2325	0.350	2	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.2130	0.000	1	119.2130	0.000	1	119.2130	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C){1|N<3>,1|O<1>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O){1|N<3>,2|C<3>,3|H<1>}	122.6430	0.000	1	122.6430	0.000	1	122.0715	0.653	2	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	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>}	121.5000	0.000	1	121.5000	0.000	1	122.0715	0.653	2	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Rh)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]H){1|Rh<5>,1|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Rh){2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.5320	0.000	1	116.5320	0.000	1	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Rh)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|Rh<5>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Rh){2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.5510	0.105	2	116.5510	0.011	2	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ir)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ir<6>,1|B<4>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ir){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	116.2655	0.156	2	117.2078	1.203	4	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ir)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ir<7>,1|B<4>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ir){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	118.1500	0.180	2	117.2078	1.203	4	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Li)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Li<4>,1|B<4>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Li){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.5002	0.150	6	117.5002	0.022	6	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<7>,1|B<4>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	118.2229	0.301	9	118.0015	0.217	13	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<8>,1|B<5>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Rh){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.5035	0.385	4	118.0015	0.217	13	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|B<5>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.0816	0.264	10	117.2349	0.136	16	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<8>,1|B<4>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.6805	0.575	2	117.2349	0.136	16	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<8>,1|B<5>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.6375	0.336	2	117.2349	0.136	16	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<9>,1|B<5>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]B)(N[6]C[6]Ru){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.1530	0.057	2	117.2349	0.136	16	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Cu)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Cu){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.4245	0.346	2	117.4245	0.120	2	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pd)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pd){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	118.3200	0.013	2	118.3200	0.000	2	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.8028	0.810	16	117.8777	0.644	18	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<6>,1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]Pt){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	118.4765	0.545	2	117.8777	0.644	18	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6])(N[6]C[6]Cu)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Cu<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6])(N[6]C[6]Cu){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	116.8725	0.070	2	116.8725	0.005	2	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6])(N[6]C[6]Pt)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6])(N[6]C[6]Pt){1|N<3>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	118.3850	0.000	1	118.3850	0.000	1	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	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](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	118.3740	0.432	4	118.3740	0.186	4	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt){3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.5115	0.286	6	117.4253	0.120	7	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<5>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Pt){3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	116.9080	0.000	1	117.4253	0.120	7	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Rh)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<5>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]Rh){3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.1580	0.078	2	117.1580	0.006	2	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Cu)(N[6]C[6]Cu)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){2|Cu<4>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Cu)(N[6]C[6]Cu){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.5083	1.048	3	117.5083	1.097	3	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Fe)(N[6]C[6]Li)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Fe<4>,1|Li<4>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Fe)(N[6]C[6]Li){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.8460	0.000	1	117.8460	0.000	1	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Cu)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Cu<5>,1|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Cu){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.8410	0.000	1	117.8410	0.000	1	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Pd)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Pd){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.2980	0.000	1	117.2980	0.000	1	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Pt)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,1|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Pt){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.4240	0.000	1	117.4240	0.000	1	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Ru)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]Ru){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	124.0870	0.000	1	124.0870	0.000	1	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]P)(N[6]C[6]Pd)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]P)(N[6]C[6]Pd){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	116.2042	0.515	5	116.2042	0.265	5	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]P)(N[6]C[6]Rh)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<4>,1|C<3>,1|P<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]P)(N[6]C[6]Rh){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	115.7953	0.479	3	115.7953	0.229	3	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Rh)(N[6]C[6]B)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<5>,1|B<4>,1|C<3>,2|H<1>}	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](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	118.9130	0.000	1	118.2175	0.967	2	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Rh)(N[6]C[6]B)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<6>,1|B<5>,1|C<3>,2|H<1>}	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](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.5220	0.000	1	118.2175	0.967	2	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Pd)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|Si<4>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Pd){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	118.3187	0.413	6	118.3187	0.171	6	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Ru)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|Si<4>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Ru){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.2313	0.072	3	117.0122	0.195	4	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Ru)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<9>,1|Si<4>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]Si)(N[6]C[6]Ru){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	116.3550	0.000	1	117.0122	0.195	4	117.5766	1.022	108	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|H<1>,1|O<1>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.4570	0.000	1	122.4570	0.000	1	122.4570	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]N[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]C)(H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]N[6]H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]C)(H){1|N<2>,1|N<3>,3|C<3>}	118.8360	0.000	1	118.8360	0.000	1	118.8360	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	118.4390	0.000	1	119.7280	2.266	5	119.7280	2.266	5	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	120.0503	1.526	4	119.7280	2.266	5	119.7280	2.266	5	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6,6a]O)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]N[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]N[5a]C){1|C<4>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]N[5a]C){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	122.3080	0.730	2	122.3080	0.533	2	122.3080	0.533	2	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|Ni<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|H<1>,4|C<3>}	121.5595	0.006	2	121.5595	0.000	2	122.3903	1.300	6	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]N)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]N){1|Ni<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni){1|O<1>,2|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|N<3>,4|C<3>}	123.4120	0.097	3	123.4120	0.009	3	122.3903	1.300	6	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]S)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]S){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]H){1|O<1>,1|S<2>,1|S<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	120.9870	0.000	1	120.9870	0.000	1	122.3903	1.300	6	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|C<4>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	119.9530	0.000	1	121.1960	1.160	3	121.1960	1.160	3	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|O<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	121.8175	0.039	2	121.1960	1.160	3	121.1960	1.160	3	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(N[5a]C[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6,6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6,6]O){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(O){1|S<4>,2|H<1>,4|C<3>}	124.9415	0.756	2	124.9415	0.571	2	124.9415	0.571	2	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]S)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]H){1|O<1>,1|S<2>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]S){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	124.9760	0.000	1	124.9760	0.000	1	124.9760	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]B[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]B[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]B[5a]H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]B[5a]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	123.2715	0.117	2	123.2715	0.014	2	123.2715	0.014	2	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6,6a]O)(N[5a]C[5a]H)	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]S)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6,6a]O)(N[5a]C[5a]H){1|S<2>,4|C<3>}	C[5a,6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]S){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(O){2|H<1>,5|C<3>}	125.4633	0.295	3	125.4633	0.087	3	125.4633	0.087	3	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,1|S<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,1|S<3>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	139.2050	0.000	1	139.2050	0.000	1	139.2050	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6,6a]O){2|C<4>,2|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	125.6460	0.430	2	125.6460	0.185	2	125.6460	0.185	2	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]O)(C[6]N[6]H)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]O)(C[6]N[6]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	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>}	121.5760	0.000	1	121.5760	0.000	1	121.5760	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[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)(C[6]C[6]H){1|C<2>,1|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<2>,3|C<3>}	123.2250	0.000	1	123.2250	0.000	1	122.0500	1.206	3	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]C)	C[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]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]C){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	121.0490	0.000	1	121.0490	0.000	1	122.0500	1.206	3	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	C[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]H)(C[6]C[6]H){1|C<2>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	121.8760	0.000	1	121.8760	0.000	1	122.0500	1.206	3	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	125.0710	0.000	1	125.0710	0.000	1	124.0050	1.055	3	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(O){2|H<1>,3|C<3>}	123.9220	0.000	1	123.9220	0.000	1	124.0050	1.055	3	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]S)(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]S)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O){1|H<1>,1|S<4>,3|C<3>}	123.0220	0.000	1	123.0220	0.000	1	124.0050	1.055	3	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|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>}	126.0360	0.000	1	126.0360	0.000	1	126.0360	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	126.0870	0.000	1	124.9390	1.003	3	124.9390	1.003	3	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	124.3650	0.170	2	124.9390	1.003	3	124.9390	1.003	3	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(N[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	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](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	120.9020	0.000	1	120.9020	0.000	1	120.9020	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]O){1|C<3>,4|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](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<3>,1|H<1>,3|N<3>}	121.1270	0.000	1	121.1270	0.000	1	121.1270	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5a,6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5a,6]O){1|O<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O){1|C<4>,1|N<3>,5|C<3>}	123.9030	0.000	1	123.9030	0.000	1	123.9030	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	122.8090	0.112	2	122.8090	0.012	2	122.8090	0.012	2	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Br)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|Br<1>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Br)(O){1|C<4>,4|C<3>}	122.3780	0.000	1	122.3780	0.000	1	122.0468	0.236	4	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|O<2>,4|C<3>}	121.3470	0.000	1	121.3470	0.000	1	122.0468	0.236	4	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Pd)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|Pd<4>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Pd)(O){1|C<4>,4|C<3>}	122.0880	0.000	1	122.0880	0.000	1	122.0468	0.236	4	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O){1|H<1>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|H<1>,1|S<4>,3|C<3>}	122.3740	0.000	1	122.3740	0.000	1	122.0468	0.236	4	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]H){5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,2|H<1>,5|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>}	121.1310	0.000	1	121.1310	0.000	1	121.4840	0.466	3	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Re)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]H){1|Re<6>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Re)(H){2|H<1>,3|C<3>}	121.6605	0.863	2	121.6605	0.745	2	121.4840	0.466	3	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	126.2090	0.000	1	126.2090	0.000	1	126.2090	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]S)(C[6]N[6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]O)(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]S)(C[6]N[6]H){1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]O)(H){1|S<4>,4|C<3>}	123.1890	0.000	1	123.1890	0.000	1	123.1890	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5a,6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5a,6]O){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O){1|C<4>,1|N<3>,5|C<3>}	122.8040	0.000	1	122.8040	0.000	1	122.8040	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	120.2440	0.427	3	120.2440	0.183	3	119.0066	2.276	10	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5]N[6]){1|Ir<6>,1|H<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	119.2010	0.000	1	119.2010	0.000	1	119.0066	2.276	10	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	118.9805	0.373	2	119.4897	0.847	3	119.0066	2.276	10	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Re<6>,1|N<3>,3|C<3>}	120.5080	0.000	1	119.4897	0.847	3	119.0066	2.276	10	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	118.7090	0.000	1	118.7090	0.000	1	119.0066	2.276	10	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Re<6>,1|N<3>,3|C<3>}	116.4775	0.459	2	116.4775	0.211	2	119.0066	2.276	10	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|Br<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|Br<1>,1|N<3>,3|C<3>}	121.0610	0.000	1	121.2600	0.079	2	121.4105	0.135	4	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|Pd<4>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|Pd<4>,1|N<3>,3|C<3>}	121.4590	0.000	1	121.2600	0.079	2	121.4105	0.135	4	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(O){1|C<4>,1|N<3>,3|C<3>}	121.9030	0.000	1	121.9030	0.000	1	121.4105	0.135	4	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	121.2190	0.000	1	121.2190	0.000	1	121.4105	0.135	4	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]N)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|N<3>,4|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>}	118.7080	0.000	1	118.7080	0.000	1	118.7080	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	125.6555	1.043	4	125.6555	1.087	4	125.9806	1.344	5	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]N[6a])(O)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]N[6a])(O){6|C<3>}	127.2810	0.000	1	127.2810	0.000	1	125.9806	1.344	5	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6,6a]O)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	126.3060	0.000	1	126.3060	0.000	1	126.3060	0.000	1	119.7197	10.333	196	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-3:O-2:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC[6a])	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>}	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](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC[6a]){1|H<1>,2|C<3>,2|N<3>}	115.8425	0.607	2	115.8425	0.369	2	115.8425	0.369	2	120.5884	6.944	14	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]N[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]N[6])(N[5a]C[5a]H){1|O<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]){2|C<4>,3|H<1>,5|C<3>}	124.1660	0.000	1	124.1660	0.000	1	124.1660	0.000	1	120.5884	6.944	14	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:O[6]-2:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]O[6])(N[5a]C[5a]Zn)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(O[6]C[6])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]O[6])(N[5a]C[5a]Zn){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|Zn<5>,1|O<2>,5|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(O[6]C[6]){1|Zn<5>,1|H<1>,6|C<3>}	121.6070	0.404	2	121.6070	0.164	2	121.6070	0.164	2	120.5884	6.944	14	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:N[6,6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:S[6]-2:	C[5a,6](C[5a,6]N[6,6]C[5a])(C[6]C[5a]S[6])(N[5a]C[5a]Ni)	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](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(S[6]C[6,6])	C[5a,6](C[5a,6]N[6,6]C[5a])(C[6]C[5a]S[6])(N[5a]C[5a]Ni){1|H<1>,1|N<3>,4|C<3>}	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](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]N[5a])(S[6]C[6,6]){1|Ni<4>,1|H<1>,1|N<3>,5|C<3>}	124.2990	0.000	1	124.2990	0.000	1	124.2990	0.000	1	120.5884	6.944	14	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:O[6]-2:	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6])(N[5a]C[5a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6,6a])	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6])(N[5a]C[5a]H){6|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]C){1|O<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	123.6830	0.000	1	123.6830	0.000	1	123.6830	0.000	1	120.5884	6.944	14	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:O-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]H)(OC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]H)(OC){1|C<4>,1|N<3>,3|C<3>}	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	120.5884	6.944	14	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN){1|N<3>,4|C<3>}	120.5023	0.350	6	120.5023	0.122	6	120.5023	0.122	6	120.5884	6.944	14	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]O[6]N)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]C)(CCO)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]O[6]N){1|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]C)(CCO){1|H<1>,1|N<3>,2|C<3>}	118.6530	0.000	1	118.6530	0.000	1	118.6530	0.000	1	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N){1|C<3>,1|O<1>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	119.1830	0.000	1	119.1830	0.000	1	119.4575	0.151	2	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]S)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]S)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	119.7320	0.000	1	119.7320	0.000	1	119.4575	0.151	2	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:N[6]-3:C-3:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(COO)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]C){1|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	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>}	118.8960	0.000	1	118.8960	0.000	1	118.8960	0.000	1	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]O[6])(N[5a]C[5a]Zn)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])(C[5a]C[5a]H){1|Zn<5>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a]O[6])(N[5a]C[5a]Zn){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	118.2825	0.124	2	118.2825	0.015	2	118.2825	0.015	2	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|Ni<4>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,2|H<1>,7|C<3>}	121.6525	0.114	2	121.6525	0.013	2	121.3086	0.120	5	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni){1|O<1>,2|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]N){1|Ni<4>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,2|H<1>,7|C<3>}	121.0793	0.192	3	121.0793	0.037	3	121.3086	0.120	5	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:N[6]-3:C[5a]-3:	C[5a,6]-3:C[6,6a]-3:C[5a]-3:	C[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni)	C[5a,6](C[5a,6]N[5a]C[6])(N[6]C[6,6a]H)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6,6a]C[5a])(N[5a]C[5a]Ni){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>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a]){1|Ni<4>,1|N<3>,2|H<1>,6|C<3>}	121.3530	0.000	1	121.3530	0.000	1	121.3530	0.000	1	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir){1|C<4>,2|H<1>,5|C<3>}	119.0893	0.166	3	119.0893	0.028	3	119.3383	0.303	6	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir){3|H<1>,5|C<3>}	119.6955	1.008	2	119.6955	1.015	2	119.3383	0.303	6	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Re)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Re){3|H<1>,5|C<3>}	119.3710	0.000	1	119.3710	0.000	1	119.3383	0.303	6	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a,6a]C[6a])(C[6]N[6]C){1|N<2>,2|H<1>,6|C<3>}	121.1200	0.000	1	121.1200	0.000	1	121.1200	0.000	1	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Pd)(CNO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|Pd<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Pd)(CNO){2|H<1>,3|C<3>}	121.0600	0.000	1	121.0600	0.000	1	121.0600	0.000	1	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[6]-3:C[5]-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5]N[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Ir)(C[5]N[5]2)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5]N[6]){1|Ir<6>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Ir)(C[5]N[5]2){3|H<1>,5|C<3>}	119.6400	0.000	1	119.6400	0.000	1	119.6400	0.000	1	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(CCH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(CCH){1|H<1>,1|N<3>,3|C<3>}	117.8025	0.282	2	117.8025	0.080	2	118.2645	0.341	4	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]N)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]N)(COO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]N){4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]N)(COO){1|N<3>,3|C<3>}	118.7265	0.301	2	118.7265	0.090	2	118.2645	0.341	4	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]H){5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	119.4900	0.000	1	119.4900	0.000	1	119.4900	0.000	1	119.6663	1.506	26	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6,6a]-3:C[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[6]-3:C-4:	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]N[6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CN[5a]HH)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]N[6]C){2|C<3>,3|H<1>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CN[5a]HH){1|H<1>,4|C<3>}	121.5840	0.000	1	121.5840	0.000	1	121.5840	0.000	1	121.8543	4.928	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]N[6a])(N[5a]C[5a,6a]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]H)(CH3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6]C){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]N[6,6a]N[6a])(N[5a]C[5a,6a]C){1|C<4>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]H)(CH3){1|N<3>,4|C<3>}	119.7820	0.000	1	119.7820	0.000	1	119.7820	0.000	1	121.8543	4.928	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]S[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|S<1>,1|S<2>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]S[6]H){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]S)(CH3){1|N<3>,3|C<3>}	124.1970	0.000	1	124.1970	0.000	1	124.1970	0.000	1	121.8543	4.928	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]N[6])(N[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]CC)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]N[6])(N[5a]C[5a]H){1|O<1>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]CC)(O){1|N<3>,3|C<3>}	118.3280	0.000	1	118.3280	0.000	1	118.3280	0.000	1	120.2383	4.505	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[5,6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(O)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[5,6]O){1|H<1>,2|C<3>,2|C<4>}	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](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(O){1|C<3>,1|N<2>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	119.8640	0.000	1	119.8640	0.000	1	119.8640	0.000	1	120.2383	4.505	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[4])(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](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[4])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<4>,4|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](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	122.5230	0.000	1	122.5230	0.000	1	122.5230	0.000	1	120.2383	4.505	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CC[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C){1|N<3>,1|O<1>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CC[5a]H){2|C<4>,3|C<3>}	120.1620	0.000	1	120.1620	0.000	1	120.1620	0.000	1	120.9966	2.171	5	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:N[6]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[6]S)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CHS)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[6]C){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	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>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CHS){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.5120	0.000	1	123.5120	0.000	1	123.5120	0.000	1	120.9966	2.171	5	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CC)(CP[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CC)(CP[6]H){1|N<3>,3|C<3>}	120.8870	0.000	1	120.8870	0.000	1	120.3220	0.638	2	120.9966	2.171	5	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H){1|N<3>,3|C<3>}	119.7570	0.000	1	119.7570	0.000	1	120.3220	0.638	2	120.9966	2.171	5	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(N[6]C[6]S)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHS)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	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>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHS){2|C<3>,2|H<1>,2|N<3>}	120.6650	0.000	1	120.6650	0.000	1	120.6650	0.000	1	120.9966	2.171	5	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]HO){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.2510	0.000	1	121.2510	0.000	1	121.2510	0.000	1	121.8608	0.215	6	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]S)(C[6]O[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]S)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<4>}	122.1370	0.000	1	122.1370	0.000	1	122.2597	0.020	3	121.8608	0.215	6	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]S)(C[6]O[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]S)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>}	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<4>}	122.3210	0.132	2	122.3210	0.017	2	122.2597	0.020	3	121.8608	0.215	6	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){2|C<4>,4|C<3>}	121.4800	0.000	1	121.4800	0.000	1	121.5675	0.015	2	121.8608	0.215	6	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]O[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	121.6550	0.000	1	121.6550	0.000	1	121.5675	0.015	2	121.8608	0.215	6	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:2:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[6]-2:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CC[6a]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	121.4695	0.302	2	121.4695	0.091	2	121.4695	0.091	2	121.4695	0.091	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:2:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[6]-2:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CCHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CCHH){1|C<4>,2|C<3>,3|H<1>}	121.8150	0.000	1	121.8150	0.000	1	121.8150	0.000	1	121.8150	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6a]C[6]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.9490	0.000	1	120.9490	0.000	1	120.9490	0.000	1	123.9886	2.395	16	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.1800	0.000	1	121.1800	0.000	1	121.1800	0.000	1	123.9886	2.395	16	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]O[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6,6a]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]O[5a]C){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6,6a]HH){1|C<4>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	123.1200	0.000	1	123.1200	0.000	1	123.1200	0.000	1	123.9886	2.395	16	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH)	C[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])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.9820	0.000	1	122.9820	0.000	1	122.9820	0.000	1	123.9886	2.395	16	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]N[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]N[6]O){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	124.1960	0.000	1	124.1960	0.000	1	124.1960	0.000	1	123.9886	2.395	16	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	125.1908	0.407	5	125.1908	0.165	5	125.1908	0.165	5	123.9886	2.395	16	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	125.7795	0.532	2	125.7795	0.284	2	124.8915	1.191	4	123.9886	2.395	16	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	124.0035	0.370	2	124.0035	0.137	2	124.8915	1.191	4	123.9886	2.395	16	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5,6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5,6]HH){1|N<3>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]C)(O){1|C<4>,1|N<3>,4|C<3>}	123.0800	0.000	1	123.0800	0.000	1	122.9355	0.042	2	123.9886	2.395	16	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.7910	0.000	1	122.7910	0.000	1	122.9355	0.042	2	123.9886	2.395	16	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]N[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]N[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<2>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]CH){4|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,3|H<1>}	124.5230	0.000	1	124.5230	0.000	1	124.5230	0.000	1	122.0072	6.452	5	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	124.0080	0.000	1	124.0080	0.000	1	124.0080	0.000	1	122.0072	6.452	5	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]N)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]N){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){2|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	122.9060	0.000	1	122.9060	0.000	1	122.9060	0.000	1	122.0072	6.452	5	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]CH){1|S<4>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	119.2995	0.053	2	119.2995	0.003	2	119.2995	0.003	2	122.0072	6.452	5	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:N[6]-3:C-4:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	123.2870	0.735	2	123.2870	0.541	2	123.2870	0.541	2	123.2870	0.541	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	119.6820	0.272	2	119.6820	0.074	2	119.6820	0.074	2	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5090	0.000	1	120.5090	0.000	1	122.9846	1.932	5	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	123.6035	0.151	4	123.6035	0.023	4	122.9846	1.932	5	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	118.1570	0.000	1	118.1570	0.000	1	120.9099	0.965	20	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O){3|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){1|O<1>,5|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,4|C<4>}	120.5910	0.000	1	120.5910	0.000	1	120.9099	0.965	20	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	119.8290	0.000	1	119.8290	0.000	1	120.9099	0.965	20	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]N)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]N)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7740	0.000	1	120.7740	0.000	1	120.9099	0.965	20	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.8660	0.000	1	119.8660	0.000	1	120.9099	0.965	20	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<2>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.4500	0.000	1	121.4500	0.000	1	120.9099	0.965	20	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<1>,2|N<2>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.5840	0.000	1	121.1097	0.387	9	120.9099	0.965	20	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	120.6490	0.000	1	121.1097	0.387	9	120.9099	0.965	20	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	120.9649	0.307	7	121.1097	0.387	9	120.9099	0.965	20	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HN){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	121.4690	0.000	1	121.4690	0.000	1	120.9099	0.965	20	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]HO){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	121.2085	1.546	2	121.2085	2.391	2	120.9099	0.965	20	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HN)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HN){1|C<3>,1|N<2>,1|O<1>,4|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,4|C<4>}	121.8285	0.226	2	121.8285	0.051	2	120.9099	0.965	20	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.3570	0.000	1	120.3570	0.000	1	120.3570	0.000	1	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	124.8450	0.000	1	124.8450	0.000	1	124.8450	0.000	1	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,2|H<1>}	123.6430	0.000	1	123.6430	0.000	1	124.3635	0.435	15	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	124.8780	1.025	2	124.8780	1.051	2	124.3635	0.435	15	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	124.8920	0.000	1	124.8920	0.000	1	124.3635	0.435	15	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	124.4689	0.198	7	124.4851	0.052	9	124.3635	0.435	15	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	124.8360	0.000	1	124.4851	0.052	9	124.3635	0.435	15	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	124.2480	0.000	1	124.4851	0.052	9	124.3635	0.435	15	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	123.3975	1.141	2	123.3975	1.301	2	124.3635	0.435	15	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[5,6]-4:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2N[6])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2N[6])(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	121.5330	0.000	1	121.5330	0.000	1	121.5330	0.000	1	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6,6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6,6]CH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(O){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	122.1950	0.000	1	122.1950	0.000	1	122.1950	0.000	1	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	122.3180	0.000	1	122.1715	0.043	2	121.6199	0.262	9	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.0250	0.000	1	122.1715	0.043	2	121.6199	0.262	9	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.1320	0.000	1	122.1320	0.000	1	121.6199	0.262	9	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.9410	0.000	1	121.9410	0.000	1	121.6199	0.262	9	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.1750	0.000	1	121.1750	0.000	1	121.6199	0.262	9	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9900	0.246	2	120.9900	0.061	2	121.6199	0.262	9	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5340	0.000	1	121.5340	0.000	1	121.6199	0.262	9	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.4740	0.000	1	121.4740	0.000	1	121.6199	0.262	9	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:S-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]S)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6790	0.000	1	120.6790	0.000	1	120.6790	0.000	1	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	N[5,5a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]O)	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[5a,6](N[5,5a]C[5,5a,6a]C[5])(C[5a,6]C[5a,6a]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.4660	0.490	4	119.4660	0.240	4	119.4660	0.240	4	121.9998	3.355	60	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C-2:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CC)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]CH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.4330	0.000	1	121.4330	0.000	1	121.4330	0.000	1	122.3107	4.278	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N-2:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NN)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	124.6730	0.000	1	124.6730	0.000	1	124.6730	0.000	1	122.3107	4.278	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:N-2:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(NO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(NO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8260	0.000	1	120.8260	0.000	1	120.8260	0.000	1	122.3107	4.278	3	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[5a,6]-3:C[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C[5]-3:	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5]C[6])(C[5a]O[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5]C[6])(C[5a]O[5a]C){2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	121.9980	0.000	1	121.9980	0.000	1	121.9980	0.000	1	122.5762	1.206	6	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHH){2|C<3>,2|C<4>,2|H<1>}	124.0290	0.000	1	124.0290	0.000	1	123.1453	0.506	4	122.5762	1.206	6	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCC)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCC){1|C<4>,2|C<3>,3|H<1>}	122.8507	0.488	3	122.8507	0.238	3	123.1453	0.506	4	122.5762	1.206	6	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	3:4:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]N[6]HH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]N[6]HH){1|C<4>,1|S<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	120.8780	0.000	1	120.8780	0.000	1	120.8780	0.000	1	122.5762	1.206	6	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	4:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5,6]-4:C[5a,6]-3:O-1:	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	126.0900	0.024	2	126.0900	0.001	2	126.0900	0.001	2	126.0900	0.001	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5a,6]-3:C-3:	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5,5,6,6]C)(N[5a]C[5a,6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,5,6]HH)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5a,6]C[5a,6]N[5a])(CHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5,5,6,6]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,5,6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5a,6]C[5a,6]N[5a])(CHH){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	125.0940	0.000	1	125.0940	0.000	1	125.0940	0.000	1	125.0940	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]S[5a])(C[6]O[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]S[5a])	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]S[5a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]S[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	119.2690	0.000	1	119.2690	0.000	1	119.2690	0.000	1	119.2690	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,2|N<3>,2|O<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>}	123.1195	0.117	2	123.1195	0.014	2	123.1195	0.014	2	122.3137	1.160	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>,3|O<2>}	121.6230	0.000	1	121.5330	0.016	2	121.5330	0.016	2	122.3137	1.160	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|N<2>,3|C<4>,3|O<2>}	121.4430	0.000	1	121.5330	0.016	2	121.5330	0.016	2	122.3137	1.160	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|H<1>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a]){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	121.5660	0.455	2	121.6343	0.118	3	121.6343	0.118	3	122.3137	1.160	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|H<1>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a]){1|O<1>,1|O<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	121.7710	0.000	1	121.6343	0.118	3	121.6343	0.118	3	122.3137	1.160	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:3:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[6]-3:I-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]I)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]S[6]HH)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]S[6])(I)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]I){1|C<3>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]S[6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,1|I<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]S[6])(I){2|C<3>,2|C<4>,2|N<2>}	124.3020	0.000	1	124.3020	0.000	1	124.3020	0.000	1	122.3137	1.160	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]O[6]HO)(N[5a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]CH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]O[6]HO)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	121.0710	0.000	1	121.0710	0.000	1	121.0710	0.000	1	119.8432	4.476	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|O<1>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	119.6110	0.000	1	119.6110	0.000	1	119.0953	1.074	9	119.8432	4.476	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.4920	0.000	1	120.2337	0.252	3	119.0953	1.074	9	119.8432	4.476	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5540	0.000	1	120.2337	0.252	3	119.0953	1.074	9	119.8432	4.476	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|H<1>,1|O<1>,4|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.6550	0.000	1	120.2337	0.252	3	119.0953	1.074	9	119.8432	4.476	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	118.7100	0.000	1	118.7100	0.000	1	119.0953	1.074	9	119.8432	4.476	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	118.2090	0.462	4	118.2090	0.213	4	119.0953	1.074	9	119.8432	4.476	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[6,6]-4:O-1:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6,6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]C[6]H)(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]O){1|C<4>,1|N<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6,6]HH)(S[5a]C[5a]){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]C[6]H)(O){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	119.5150	0.000	1	119.5150	0.000	1	119.5150	0.000	1	119.8432	4.476	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	125.6740	0.000	1	125.6740	0.000	1	125.6740	0.000	1	119.8432	4.476	12	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:4:2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:S[5a]-2:	C[5a,6]-3:C[6]-4:N-2:	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]N)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NS)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]N){2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(S[5a]C[5a]){1|C<4>,1|N<2>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NS){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.7790	0.000	1	120.7790	0.000	1	120.7790	0.000	1	120.7790	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:4:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCH)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C){2|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){3|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCH){1|O<2>,2|C<4>,3|C<3>}	121.2190	0.000	1	121.2190	0.000	1	120.1780	2.167	2	120.1780	2.167	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:2:	3:4:3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){2|C<4>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,3|C<3>}	119.1370	0.000	1	119.1370	0.000	1	120.1780	2.167	2	120.1780	2.167	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	121.4320	0.000	1	121.4320	0.000	1	121.4320	0.000	1	121.0860	7.755	4	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:N[5a]-4:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]FeLi)(N[6]C[6]Li)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Fe<4>,2|Li<4>,1|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]FeLi)(N[6]C[6]Li){1|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	117.7140	0.000	1	117.7140	0.000	1	117.7140	0.000	1	121.0860	7.755	4	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H){1|C<4>,1|N<3>,3|C<3>}	120.7020	0.000	1	120.7020	0.000	1	120.7020	0.000	1	121.0860	7.755	4	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,2|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.4960	0.000	1	124.4960	0.000	1	124.4960	0.000	1	121.0860	7.755	4	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){7|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	120.5320	0.000	1	120.2425	0.168	2	120.2425	0.168	2	120.2425	0.168	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,7|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6a]N[6]H)(N[5a]C[5a,6a]C){7|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	119.9530	0.000	1	120.2425	0.168	2	120.2425	0.168	2	120.2425	0.168	2	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:3:4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[5,6]-3:C-4:	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5,6]C)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]N[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]N[5a]H){2|C<3>,3|C<4>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])(CH3){1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	122.9580	0.000	1	122.9580	0.000	1	122.9580	0.000	1	122.9580	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	C[5a,6]-3:C[6,6]-4:O-1:	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6,6]O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(C[5a]O[5a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6,6]O){1|C<4>,2|O<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(C[5a]O[5a]H){1|O<1>,2|C<4>,2|O<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(O){2|C<3>,2|C<4>,3|O<2>}	123.3350	0.153	4	123.3350	0.023	4	123.3350	0.023	4	121.9582	5.063	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O){1|N<3>,2|C<3>,2|C<4>}	118.4350	0.000	1	118.4250	0.000	2	118.4250	0.000	2	121.9582	5.063	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]O[5,6]C[5]H)(N[5a]C[5a,6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O){1|N<3>,2|C<3>,2|C<4>}	118.4150	0.000	1	118.4250	0.000	2	118.4250	0.000	2	121.9582	5.063	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O){2|C<3>,2|H<1>,2|S<2>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[6]S[5]2)(N[5a]C[5a,6a]C){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.6340	0.000	1	123.6340	0.000	1	123.6340	0.000	1	121.9582	5.063	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-4:N[5a]-3:	C[5a,6]-3:C[6,6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]S)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]O){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]C[6,6]N[6]H)(N[5a]C[5a,6a]S){1|O<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	121.8420	0.000	1	121.8420	0.000	1	121.8420	0.000	1	121.9582	5.063	8	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	4:3:2:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6]-4:C[5a,6]-3:S[5a]-2:	C[5a,6]-3:C[5,6]-3:H-1:	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5a]C[5a]H)(C[6]C[5,6]H)	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a]C[6])(S[5a]C[5a])	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6,6]N[5])(H)	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5a]C[5a]H)(C[6]C[5,6]H){1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[6,6]C[5,6,6]C[6]H)(C[5a,6]C[5a]C[6])(S[5a]C[5a]){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6,6]N[5])(H){1|C<3>,1|S<2>,1|S<4>,2|H<1>,3|C<4>}	120.7980	0.000	1	120.7980	0.000	1	120.7980	0.000	1	120.7980	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O)	C[5a,6](C[6]C[6,6a]C[6a]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O){2|C<4>,6|C<3>}	C[5a,6](C[6]C[6,6a]C[6a]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]C){1|O<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	120.8580	0.000	1	120.8580	0.000	1	120.8580	0.000	1	120.8580	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[3x6]-4:C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[3x6]-4:O-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]O)	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[3x6]C[6,6]N[4x6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(O){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	118.7860	0.000	1	118.7860	0.000	1	118.7860	0.000	1	118.7860	0.000	1	121.0161	8.931	813	121.1148	9.088	854
727	727	762	6:SP2_SP2_SP2	C[5a,6]	C[5a,6a]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|C<4>,1|S<2>,3|C<3>}	129.2020	0.000	1	129.2020	0.000	1	129.2020	0.000	1	129.2020	0.000	1	129.2020	0.000	1	121.1148	9.088	854